A0A077ZJQ4_TRITR Loading...

NYN YacP and SpoU methylase and SpoU sub bind dom ain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41Very low39.1Very low247 Ų247184.3 Ų184.3100%1.21787%0.874SS**  0106.30-94.6173.6162.400110
2K36.6Very low39.1Very low192 Ų192186 Ų18684%0.83587%0.866SS**  trans43105150.8-67.6-179.1174.8179.10121.7
3D40.1Very low38.9Very low147 Ų147189.5 Ų189.579%0.78687%0.866SS**  50.2114.1119.6-59.7-42.7000121.3
4K41.4Very low38.7Very low218 Ų218185.7 Ų185.795%0.94886%0.856SS**  trans-170.793.1138.2-107.4166.6-175178.70110.9
5K42.6Very low38.9Very low188 Ų188185 Ų18582%0.81785%0.854SS**  trans-113.4118.6165.7-112178.9177.7177.60109.8
6Q40.4Very low38.7Very low167 Ų167186.3 Ų186.378%0.7885%0.849SS**  trans60.393143-68.2166.6-17.100118.3
7R37Very low38.5Very low257 Ų257184.4 Ų184.497%0.9784%0.838SS**  trans-110.291.3148.6-79.8-177.1167.9-178.3-3.6109
8R35.4Very low38.4Very low254 Ų254181.4 Ų181.496%0.95883%0.831SS**  trans-129.395.6161.7-82.8-173171.9-176-1.8106.5
9G37.5Very low38.3Very low79 Ų79179.3 Ų179.381%0.81483%0.826SS**  trans-138.939.6-175.600000112.4D11G9-D11 PolarHBondContact O-N 3.47Å
10N35.4Very low38.1Very low121 Ų121180.6 Ų180.665%0.64782%0.824SS**  trans-6.596.1159.9-146.59.5000117.2R12N10-R12 PolarHBondContact O-N 3.41Å
11D42.8Very low38Very low157 Ų157175.3 Ų175.384%0.8481%0.808SS**SBend30.912.4122.5-70.7-31000123.2G9G9-D11 PolarHBondContact O-N 3.47Å
12R39.3Very low37.8Very low205 Ų205172.2 Ų172.277%0.77479%0.788SS**  trans-112.89.5-178.2-71.2-174.6176179.5-1.9115.2N10N10-R12 PolarHBondContact O-N 3.41Å
13R36.4Very low37.7Very low232 Ų232169.7 Ų169.788%0.87578%0.783SS**SBendtrans-99.2-7.5-176.3-133175.9-173.4-179.61.4115.2
14N35.9Very low37.2Very low136 Ų136173.4 Ų173.473%0.72779%0.786SS**SBendtrans-106.2-5.8-177.3-104.84000116.1
15Q41.3Very low36.8Very low175 Ų175173.8 Ų173.882%0.81878%0.782SS**SBendtrans-97.3-4.2174.5-87175-10.300114.6
16R35.7Very low36.2Very low205 Ų205174.1 Ų174.177%0.77478%0.783SS**SBendtrans-90.84.2172.5-78.4-176169.5-175.9-3.5114.3
17K36.4Very low35.6Very low155 Ų155174 Ų17467%0.67478%0.783SS**SBendtrans-93.4-8-178.9-90.5-177.8172.6-177.90114.8
18N35.5Very low35.2Very low130 Ų130168 Ų16870%0.69578%0.775SS**SBendtrans-112-7.3-176.5-94.24.7000116.5
19D36.9Very low34.9Very low141 Ų141165 Ų16575%0.75477%0.772SS**SBendtrans-106.4-1.1176.1-81.2-24.4000114.3
20R34.3Very low34.3Very low206 Ų206167.4 Ų167.478%0.77777%0.771SS**SBendtrans-100.5-0.7176.5-78.7-176.2172.8-172.8-4.4114.4
21S35.7Very low34Very low69 Ų69167 Ų16748%0.48377%0.773SS.*SBendtrans-103.9-2.1-178.844.80000113.7
22K37.8Very low33.3Very low182 Ų182168.5 Ų168.579%0.79177%0.774SS**SBendtrans-106.6-13.8179.5-89.2179172.7179.90115.4
23D32.8Very low32.6Very low139 Ų139163.6 Ų163.674%0.74377%0.767SS**SBendtrans-102.64.3179-113.3-9.4000114.4
24R31.2Very low32.5Very low225 Ų225160.9 Ų160.985%0.84976%0.764SS**SBendtrans-102.99.7178-98.6-175.9175.7-165-3.2114.3
25R32.2Very low32.5Very low226 Ų226163.2 Ų163.285%0.85377%0.771SS**SBendtrans-11215.4-176.4-81.9-176.4172.9175.2-3113.5
26K30.3Very low33.1Very low195 Ų195160.7 Ų160.785%0.84876%0.763SS**SBendtrans-132.39.6-176.8-94.4-173.1172.9-1740115.4
27E27.8Very low35Very low165 Ų165153.8 Ų153.877%0.77174%0.742SS**SBendtrans-133.1137.2173.7-74174.515900107.2
28T28.2Very low37.3Very low131 Ų131150.1 Ų150.180%0.80473%0.726SS**  trans98.750.5178.8-21.30000116.7
29E28.5Very low39.7Very low191 Ų191145.5 Ų145.589%0.89370%0.702SS**SBendtrans-132.333.6163.6-105.5178.3-17100112.2
30T26.6Very low42.3Very low130 Ų130142.6 Ų142.680%0.79868%0.683SS**  trans-157.869.5175.829.70000110.2
31V27.6Very low44.8Very low113 Ų113133.2 Ų133.269%0.68565%0.65SS**  trans-143.369.9164.3-168.10000108.5
32E28.1Very low47.4Very low187 Ų187130.6 Ų130.687%0.87463%0.63SS**  trans-116.260.3154.7-74.1-167.5175.600107.2
33T25.4Very low49.8Very low103 Ų103128.7 Ų128.763%0.63262%0.624SS**  trans-103.8114.6-179.840.70000109.9E35T33-E35 PolarHBondContact O-N 2.86Å
34E33.6Very low52.4Low174 Ų174123.8 Ų123.881%0.81360%0.603SS**SBendtrans79.3-25.2159.1-55-161.4155.100121.9N36E34-N36 PolarHBondContact O-N 3.38Å
35E37.7Very low55.2Low186 Ų186113 Ų11387%0.86956%0.562SS**THydrogen-bonded Turntrans-78.9-10.9-172.5-73.1-175.216900116.5T33T33-E35 PolarHBondContact O-N 2.86Å
36N53.4Low57.9Low122 Ų122103 Ų10365%0.65253%0.526SS*.THydrogen-bonded Turntrans-105.310.7-168.7-86.2-25.1000116.2E34 F38E34-N36 PolarHBondContact O-N 3.38Å; N36-F38 VanDerWaalsContact C-N 3.34Å; N36-F38 PolarHBondContact O-N 3.39Å
37N75.8Confident60.4Low59 Ų5999.5 Ų99.532%0.31651%0.513SS..SBendtrans-84-6.6-172.3-67.2-7.4000114.6I106 P108N37-I106 CarbonylContact C-O 3.57Å; N37-I106 WeakPolarHBondContact CA-O 2.93Å; N37-I106 PolarHBondContact O-N 3.24Å; N37-I106 VanDerWaalsContact O-O 3.05Å; N37-P108 WeakPolarHBondContact OD1-CD 3.39Å; N37-P108 WeakPolarHBondContact OD1-CG 3.24Å
38F83.7Confident63Low78 Ų7891.6 Ų91.634%0.34248%0.476SS..EExtended strand (participates in β ladder)trans-139.7137.7-177.2-62.7-75.3000111.1N36 F58 L93 V103 L104N36-F38 VanDerWaalsContact C-N 3.34Å; N36-F38 PolarHBondContact O-N 3.39Å; F38-F58 HydrophobicContact CE1-CE2 4.23Å; F38-L93 HydrophobicContact CD1-CB 4.47Å; F38-L93 HydrophobicContact CE1-CD2 3.82Å; F38-L93 HydrophobicContact CE2-CD2 4.21Å; F38-L93 WeakPolarHBondContact CG-O 3.48Å; F38-L93 HydrophobicContact CZ-CD2 3.65Å; F38-V103 HydrophobicContact CB-CG1 3.99Å; F38-V103 HydrophobicContact CD1-CG1 3.79Å; F38-V103 HydrophobicContact CG-CG1 4.2Å; F38-L104 WeakPolarHBondContact CA-O 3.13Å
39V87.1Confident65.8Low33 Ų3385.4 Ų85.420%0.244%0.438CS..EExtended strand (participates in β ladder)trans-116.3149.6162.6-65.30000108.9A44 A48 V103 L104 I106V39-A44 HydrophobicContact CB-CB 4.28Å; V39-A48 HydrophobicContact CG2-CB 3.91Å; V39-V103 CarbonylContact O-C 3.59Å; V39-L104 HydrophobicContact CG2-CB 3.77Å; V39-L104 HydrophobicContact CG2-CD2 3.97Å; V39-L104 HydrophobicContact CG2-CG 4.34Å; V39-L104 PolarHBondContact N-O 3.08Å; V39-L104 PolarHBondContact O-N 2.75Å; V39-I106 HydrophobicContact CB-CD1 4.17Å; V39-I106 HydrophobicContact CG1-CD1 3.51Å; V39-I106 HydrophobicContact CG2-CD1 3.69Å; V39-I106 HydrophobicContact CG2-CG1 4.3Å
40F90.3Very high68.3Low81 Ų8182.2 Ų82.236%0.35542%0.423SS..EExtended strand (participates in β ladder)trans-139.8155-174.750.4-101.7000111.9H99 I102 V103F40-H99 HydrophobicContact CB-CB 3.74Å; F40-H99 HydrophobicContact CG-CB 4.34Å; F40-I102 WeakPolarHBondContact CA-O 3.48Å; F40-I102 WeakPolarHBondContact CB-O 3.48Å; F40-V103 HydrophobicContact CB-CG2 4.03Å
41G88Confident70.3Confident8 Ų878.1 Ų78.18%0.08240%0.402CS..SBendtrans86.9161-170.600000113.7S45 H99 I102G41-S45 VanDerWaalsContact O-CB 3.24Å; G41-S45 WeakPolarHBondContact O-CB 3.28Å; G41-S45 PolarHBondContact O-N 3.12Å; G41-S45 VanDerWaalsContact O-N 3.16Å; G41-S45 PolarHBondContact O-OG 3.22Å; G41-H99 WeakPolarHBondContact CA-O 3.3Å; G41-H99 PolarHBondContact N-O 2.98Å; G41-I102 PolarHBondContact N-O 3.31Å
42H90.2Very high72.4Confident14 Ų1472.8 Ų72.87%0.06537%0.37CS..Hα-helixtrans-64.6-53.8-170.3173.6-96.8000113.4A44 S45 V46 K67 Q70 I102H42-A44 PolarHBondContact O-N 3.5Å; H42-S45 PolarHBondContact O-N 3.13Å; H42-V46 WeakPolarHBondContact O-CG2 3.23Å; H42-V46 PolarHBondContact O-N 3.09Å; H42-K67 HydrophobicContact CB-CD 4.29Å; H42-K67 VanDerWaalsContact CD2-CB 3.5Å; H42-K67 WeakPolarHBondContact CD2-CB 3.42Å; H42-K67 PolarHBondContact CD2-O 2.72Å; H42-Q70 PolarHBondContact CE1-OE1 2.94Å; H42-Q70 VanDerWaalsContact CE1-OE1 3.24Å; H42-Q70 PolarHBondContact NE2-OE1 3.42Å; H42-I102 HydrophobicContact CB-CD1 4.12Å
43H87.7Confident74.6Confident142 Ų14268.5 Ų68.566%0.65735%0.346SS*.Hα-helixtrans-61.6-48.9-175.8-63.998.3000112.8S45 V46 E47H43-S45 VanDerWaalsContact C-N 3.28Å; H43-S45 PolarHBondContact O-N 3.17Å; H43-V46 PolarHBondContact O-N 3.46Å; H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 PolarHBondContact O-N 3.49Å
44A86.3Confident77.2Confident36 Ų3663.6 Ų63.630%0.29832%0.316SS..Hα-helixtrans-62.2-37.9179.300000111.7V39 H42 A48V39-A44 HydrophobicContact CB-CB 4.28Å; H42-A44 PolarHBondContact O-N 3.5Å; A44-A48 WeakPolarHBondContact O-CB 3.39Å; A44-A48 PolarHBondContact O-N 3.36Å
45S90.8Very high79.6Confident0 Ų057.6 Ų57.60%029%0.289CS..Hα-helixtrans-70.6-39.6176.8-57.40000112.3G41 H42 H43 L49 I102G41-S45 VanDerWaalsContact O-CB 3.24Å; G41-S45 WeakPolarHBondContact O-CB 3.28Å; G41-S45 PolarHBondContact O-N 3.12Å; G41-S45 VanDerWaalsContact O-N 3.16Å; G41-S45 PolarHBondContact O-OG 3.22Å; H42-S45 PolarHBondContact O-N 3.13Å; H43-S45 VanDerWaalsContact C-N 3.28Å; H43-S45 PolarHBondContact O-N 3.17Å; S45-L49 VanDerWaalsContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CB 3.34Å; S45-L49 VanDerWaalsContact O-CG 3.24Å; S45-L49 WeakPolarHBondContact O-CG 3.45Å; S45-L49 PolarHBondContact O-N 3Å; S45-I102 VanDerWaalsContact OG-CG2 3.31Å; S45-I102 WeakPolarHBondContact OG-CG2 3.25Å
46V89.9Confident82.1Confident16 Ų1653 Ų5310%0.09727%0.266CS..Hα-helixtrans-62.4-48.9174.7168.60000110.1H42 H43 A48 L49 Q50 L71 L74H42-V46 WeakPolarHBondContact O-CG2 3.23Å; H42-V46 PolarHBondContact O-N 3.09Å; H43-V46 PolarHBondContact O-N 3.46Å; V46-A48 PolarHBondContact O-N 2.9Å; V46-L49 PolarHBondContact O-N 3.23Å; V46-Q50 HydrophobicContact CG1-CG 4.34Å; V46-Q50 WeakPolarHBondContact O-CB 3.45Å; V46-Q50 VanDerWaalsContact O-CG 3.32Å; V46-Q50 WeakPolarHBondContact O-CG 3.49Å; V46-Q50 PolarHBondContact O-N 3.14Å; V46-L71 HydrophobicContact CB-CD2 4.49Å; V46-L71 HydrophobicContact CG2-CD2 3.6Å; V46-L71 HydrophobicContact CG2-CG 4.14Å; V46-L74 HydrophobicContact CB-CD2 4.44Å; V46-L74 HydrophobicContact CG1-CD2 4.16Å
47E82.5Confident84Confident120 Ų12047.1 Ų47.156%0.56124%0.235SC*.Hα-helixtrans-61.2-45.5179-172.8-165.8144.200111.4H43 Q50 A51 R53H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 PolarHBondContact O-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.5Å; E47-A51 VanDerWaalsContact O-CB 3.29Å; E47-A51 WeakPolarHBondContact O-CB 3.42Å; E47-A51 PolarHBondContact O-N 2.99Å; E47-R53 IonicContact OE1-NH2 3.84Å
48A82.4Confident84.9Confident0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-66.7-39.9179.200000112.4V39 A44 V46 A51 G52 R53 L104 I106V39-A48 HydrophobicContact CG2-CB 3.91Å; A44-A48 WeakPolarHBondContact O-CB 3.39Å; A44-A48 PolarHBondContact O-N 3.36Å; V46-A48 PolarHBondContact O-N 2.9Å; A48-A51 CarbonylContact O-C 3.54Å; A48-A51 PolarHBondContact O-N 3.26Å; A48-G52 CarbonylContact O-C 3.57Å; A48-G52 PolarHBondContact O-N 3.43Å; A48-R53 HydrophobicContact CB-CB 4.47Å; A48-R53 PolarHBondContact O-N 3.34Å; A48-L104 HydrophobicContact CB-CD2 3.53Å; A48-I106 HydrophobicContact CB-CD1 4.14Å
49L86.1Confident85.5Confident0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-67.3-44.1174.5-77.1171000111.8S45 V46 A51 G52 L57 L71 L74 A75 Q78 V80 L104S45-L49 VanDerWaalsContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CB 3.34Å; S45-L49 VanDerWaalsContact O-CG 3.24Å; S45-L49 WeakPolarHBondContact O-CG 3.45Å; S45-L49 PolarHBondContact O-N 3Å; V46-L49 PolarHBondContact O-N 3.23Å; L49-A51 PolarHBondContact O-N 2.85Å; L49-G52 WeakPolarHBondContact O-CA 3.41Å; L49-G52 PolarHBondContact O-N 3.07Å; L49-L57 HydrophobicContact CD1-CD2 4.45Å; L49-L71 HydrophobicContact CD1-CD2 3.63Å; L49-L74 HydrophobicContact CB-CD2 3.4Å; L49-L74 HydrophobicContact CB-CG 3.75Å; L49-L74 HydrophobicContact CD1-CB 4.44Å; L49-L74 HydrophobicContact CD1-CD2 4Å; L49-L74 HydrophobicContact CD1-CG 4.28Å; L49-L74 HydrophobicContact CG-CD2 4.36Å; L49-A75 HydrophobicContact CD1-CB 4.28Å; L49-A75 HydrophobicContact CD2-CB 4.34Å; L49-Q78 VanDerWaalsContact O-CG 3.25Å; L49-Q78 WeakPolarHBondContact O-CG 3.06Å; L49-V80 HydrophobicContact CD2-CB 3.99Å; L49-V80 HydrophobicContact CD2-CG1 4.15Å; L49-V80 HydrophobicContact CD2-CG2 3.65Å; L49-L104 HydrophobicContact CD2-CD1 3.81Å; L49-L104 HydrophobicContact CD2-CD2 4.22Å; L49-L104 HydrophobicContact CG-CD1 4.16Å; L49-L104 HydrophobicContact CG-CD2 3.91Å
50Q82.3Confident85.9Confident124 Ų12441.8 Ų41.858%0.57921%0.207SC*.Hα-helixtrans-60.8-33.6175.2-77.7175-24.500112V46 E47 G52 L74V46-Q50 HydrophobicContact CG1-CG 4.34Å; V46-Q50 WeakPolarHBondContact O-CB 3.45Å; V46-Q50 VanDerWaalsContact O-CG 3.32Å; V46-Q50 WeakPolarHBondContact O-CG 3.49Å; V46-Q50 PolarHBondContact O-N 3.14Å; E47-Q50 PolarHBondContact O-N 3.5Å; Q50-G52 PolarHBondContact O-N 2.82Å; Q50-L74 HydrophobicContact CG-CD1 3.84Å; Q50-L74 HydrophobicContact CG-CD2 3.84Å; Q50-L74 HydrophobicContact CG-CG 4.46Å
51A68.1Low86.1Confident44 Ų4443.7 Ų43.736%0.36422%0.217SC..THydrogen-bonded Turntrans-81.14.5172.100000113.7E47 A48 L49 R53E47-A51 VanDerWaalsContact O-CB 3.29Å; E47-A51 WeakPolarHBondContact O-CB 3.42Å; E47-A51 PolarHBondContact O-N 2.99Å; A48-A51 CarbonylContact O-C 3.54Å; A48-A51 PolarHBondContact O-N 3.26Å; L49-A51 PolarHBondContact O-N 2.85Å; A51-R53 HydrophobicContact CB-CG 4.18Å; A51-R53 PolarHBondContact O-N 2.93Å; A51-R53 VanDerWaalsContact O-N 3.13Å
52G71.5Confident86.1Confident2 Ų248.4 Ų48.42%0.02124%0.24CC..THydrogen-bonded Turntrans68-0.2-177.400000115.7A48 L49 Q50 G54 T167 P168A48-G52 CarbonylContact O-C 3.57Å; A48-G52 PolarHBondContact O-N 3.43Å; L49-G52 WeakPolarHBondContact O-CA 3.41Å; L49-G52 PolarHBondContact O-N 3.07Å; Q50-G52 PolarHBondContact O-N 2.82Å; G52-G54 PolarHBondContact O-N 3.14Å; G52-T167 WeakPolarHBondContact O-CB 3.45Å; G52-T167 WeakPolarHBondContact O-CG2 2.99Å; G52-P168 WeakPolarHBondContact O-CD 3.09Å
53R73.8Confident86Confident96 Ų9648.6 Ų48.636%0.36224%0.244SC..  trans-66.6-14.2-170.7-66.4-174.6-73.9145.3-7.3114.9E47 A48 A51 I106E47-R53 IonicContact OE1-NH2 3.84Å; A48-R53 HydrophobicContact CB-CB 4.47Å; A48-R53 PolarHBondContact O-N 3.34Å; A51-R53 HydrophobicContact CB-CG 4.18Å; A51-R53 PolarHBondContact O-N 2.93Å; A51-R53 VanDerWaalsContact O-N 3.13Å; R53-I106 HydrophobicContact CB-CD1 4.47Å; R53-I106 HydrophobicContact CB-CG2 4.29Å
54G80.7Confident86.1Confident0 Ų052.6 Ų52.60%025%0.253CS..EExtended strand (participates in β ladder)trans-76.9129.9-176.200000113.3G52 V80 G105 P168G52-G54 PolarHBondContact O-N 3.14Å; G54-V80 WeakPolarHBondContact O-CG2 3.11Å; G54-G105 CarbonylContact C-O 3.54Å; G54-G105 WeakPolarHBondContact CA-O 3.37Å; G54-P168 VanDerWaalsContact O-CD 3.27Å; G54-P168 WeakPolarHBondContact O-CD 3.48Å; G54-P168 WeakPolarHBondContact O-CG 2.85Å
55N83.2Confident86.3Confident48 Ų4852.8 Ų52.826%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-100.5-25.1174.671.419.7000114.5P81 G105 T107 P168N55-P81 WeakPolarHBondContact O-CD 3.32Å; N55-P81 WeakPolarHBondContact O-CG 3.29Å; N55-G105 PolarHBondContact N-O 3.19Å; N55-G105 WeakPolarHBondContact OD1-CA 3.29Å; N55-G105 PolarHBondContact OD1-O 3.26Å; N55-T107 PolarHBondContact ND2-N 2.9Å; N55-T107 VanDerWaalsContact ND2-N 3.14Å; N55-T107 PolarHBondContact ND2-OG1 3.2Å; N55-P168 VanDerWaalsContact CA-CG 3.5Å; N55-P168 HydrophobicContact CB-CG 3.92Å
56K90.5Very high86.3Confident89 Ų8959.9 Ų59.939%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-163.6121.7-178.2-172.5164.4-76.2161.60109.4F58 P81 G105K56-F58 HydrophobicContact CB-CE2 4.03Å; K56-F58 HydrophobicContact CB-CZ 4.24Å; K56-F58 HydrophobicContact CD-CE1 3.82Å; K56-F58 HydrophobicContact CD-CE2 4.13Å; K56-F58 HydrophobicContact CD-CZ 3.47Å; K56-F58 VanDerWaalsContact CD-CZ 3.47Å; K56-F58 HydrophobicContact CG-CD2 4.42Å; K56-F58 HydrophobicContact CG-CE1 4.11Å; K56-F58 HydrophobicContact CG-CE2 3.86Å; K56-F58 HydrophobicContact CG-CZ 3.7Å; K56-P81 HydrophobicContact CB-CG 4.46Å; K56-P81 HydrophobicContact CG-CG 4.41Å; K56-G105 PolarHBondContact O-N 3.29Å
57L93.9Very high86.3Confident0 Ų064.5 Ų64.50%032%0.316CS..EExtended strand (participates in β ladder)trans-93.4117.5176.9-179.166.5000109.4L49 M59 L71 A75 V80 P81 V82 K83 I102 L104L49-L57 HydrophobicContact CD1-CD2 4.45Å; L57-M59 HydrophobicContact CD2-CE 4.27Å; L57-M59 HydrophobicContact CD2-CG 4.07Å; L57-M59 HydrophobicContact CD2-SD 3.89Å; L57-M59 HydrophobicContact CG-CG 3.92Å; L57-M59 HydrophobicContact CG-SD 4.4Å; L57-L71 HydrophobicContact CD2-CB 4.13Å; L57-A75 HydrophobicContact CB-CB 4.46Å; L57-A75 HydrophobicContact CD2-CB 3.82Å; L57-V80 HydrophobicContact CB-CG1 4.24Å; L57-P81 PolarHBondContact N-O 2.97Å; L57-V82 HydrophobicContact CB-CG2 4.4Å; L57-V82 HydrophobicContact CD2-CG2 4.2Å; L57-V82 CarbonylContact O-C 3.4Å; L57-V82 WeakPolarHBondContact O-CA 3.16Å; L57-K83 PolarHBondContact O-N 3.41Å; L57-I102 HydrophobicContact CD1-CG2 3.77Å; L57-L104 HydrophobicContact CB-CD1 3.96Å; L57-L104 HydrophobicContact CD1-CB 4.28Å; L57-L104 HydrophobicContact CD1-CD1 3.97Å
58F95Very high86.8Confident23 Ų2359.2 Ų59.210%0.10129%0.291CS..EExtended strand (participates in β ladder)trans-96.7125173.1-56.8-90.2000109.6F38 K56 K83 V85 L90 L93 I102 V103F38-F58 HydrophobicContact CE1-CE2 4.23Å; K56-F58 HydrophobicContact CB-CE2 4.03Å; K56-F58 HydrophobicContact CB-CZ 4.24Å; K56-F58 HydrophobicContact CD-CE1 3.82Å; K56-F58 HydrophobicContact CD-CE2 4.13Å; K56-F58 HydrophobicContact CD-CZ 3.47Å; K56-F58 VanDerWaalsContact CD-CZ 3.47Å; K56-F58 HydrophobicContact CG-CD2 4.42Å; K56-F58 HydrophobicContact CG-CE1 4.11Å; K56-F58 HydrophobicContact CG-CE2 3.86Å; K56-F58 HydrophobicContact CG-CZ 3.7Å; F58-K83 WeakPolarHBondContact CA-O 3.33Å; F58-K83 HydrophobicContact CD1-CB 4.19Å; F58-K83 HydrophobicContact CD1-CD 4.39Å; F58-K83 HydrophobicContact CE1-CD 4.18Å; F58-V85 HydrophobicContact CB-CG2 4.16Å; F58-V85 HydrophobicContact CD1-CG1 4.04Å; F58-L90 HydrophobicContact CB-CD2 3.63Å; F58-L93 HydrophobicContact CB-CD1 4.22Å; F58-L93 HydrophobicContact CD1-CD1 3.87Å; F58-L93 HydrophobicContact CD2-CD1 3.71Å; F58-L93 HydrophobicContact CE1-CD1 4.08Å; F58-L93 HydrophobicContact CE2-CD1 3.94Å; F58-L93 HydrophobicContact CG-CD1 3.66Å; F58-L93 HydrophobicContact CZ-CD1 4.1Å; F58-I102 WeakPolarHBondContact O-CA 2.99Å; F58-V103 WeakPolarHBondContact CA-O 3.2Å; F58-V103 HydrophobicContact CB-CB 4.37Å; F58-V103 WeakPolarHBondContact CB-O 3.3Å; F58-V103 WeakPolarHBondContact CD2-O 3.13Å; F58-V103 PolarHBondContact N-O 2.99Å; F58-V103 PolarHBondContact O-N 2.97Å
59M95.4Very high87.3Confident0 Ų064 Ų640%031%0.314CS..EExtended strand (participates in β ladder)trans-123.2141.7-179.9-54.1-171.493.700110L57 I68 L71 K72 V82 K83 W84 V85 G101L57-M59 HydrophobicContact CD2-CE 4.27Å; L57-M59 HydrophobicContact CD2-CG 4.07Å; L57-M59 HydrophobicContact CD2-SD 3.89Å; L57-M59 HydrophobicContact CG-CG 3.92Å; L57-M59 HydrophobicContact CG-SD 4.4Å; M59-I68 HydrophobicContact CE-CB 4.06Å; M59-I68 HydrophobicContact CE-CD1 3.69Å; M59-I68 HydrophobicContact CE-CG1 4.44Å; M59-I68 HydrophobicContact CE-CG2 3.51Å; M59-I68 HydrophobicContact SD-CG2 4.45Å; M59-L71 HydrophobicContact CE-CB 4.1Å; M59-K72 HydrophobicContact CE-CG 4.24Å; M59-K72 HydrophobicContact SD-CG 3.78Å; M59-V82 HydrophobicContact CG-CG1 3.92Å; M59-V82 HydrophobicContact SD-CG1 3.58Å; M59-V82 VanDerWaalsContact SD-CG1 3.58Å; M59-K83 PolarHBondContact N-O 3.5Å; M59-W84 HydrophobicContact CB-CD2 4.4Å; M59-W84 HydrophobicContact CB-CE3 3.82Å; M59-W84 HydrophobicContact CB-CZ3 3.96Å; M59-W84 CarbonylContact O-C 3.55Å; M59-W84 VanDerWaalsContact O-CA 3.29Å; M59-W84 WeakPolarHBondContact O-CA 3.33Å; M59-V85 PolarHBondContact O-N 3.28Å; M59-G101 WeakPolarHBondContact CA-O 3.47Å
60Q95.9Very high87.7Confident35 Ų3568.6 Ų68.616%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-65.8134.6176.9-156.6179.4-55.600110D62 A63 W84 V85 K87 L90 G101Q60-D62 VanDerWaalsContact CD-OD1 3.3Å; Q60-D62 VanDerWaalsContact CG-OD1 3.23Å; Q60-D62 WeakPolarHBondContact CG-OD1 3.15Å; Q60-D62 PolarHBondContact NE2-OD1 3.47Å; Q60-D62 PolarHBondContact O-N 2.64Å; Q60-A63 HydrophobicContact CB-CB 4.07Å; Q60-A63 WeakPolarHBondContact O-CB 3.35Å; Q60-A63 PolarHBondContact O-N 3.35Å; Q60-W84 WeakPolarHBondContact O-CZ3 3.32Å; Q60-V85 WeakPolarHBondContact CA-O 3.46Å; Q60-K87 HydrophobicContact CG-CB 4.22Å; Q60-L90 HydrophobicContact CB-CD1 3.69Å; Q60-L90 HydrophobicContact CG-CD1 4.13Å; Q60-G101 PolarHBondContact N-O 3.48Å
61E93.1Very high88.2Confident121 Ų12162.7 Ų62.757%0.56531%0.308SS*.THydrogen-bonded Turntrans-51.5-32.3-174.4-77.1166.3176.700115.4W84 V85 P86E61-W84 HydrophobicContact CG-CB 4.14Å; E61-V85 PolarHBondContact N-O 2.71Å; E61-V85 VanDerWaalsContact N-O 3.08Å; E61-P86 VanDerWaalsContact OE1-CD 3.31Å; E61-P86 WeakPolarHBondContact OE1-CD 3.5Å
62D89.9Confident89.4Confident106 Ų10663.1 Ų63.157%0.56730%0.301SS*.THydrogen-bonded Turntrans-100.64.3-18062.9-25.3000113.5Q60 R64Q60-D62 VanDerWaalsContact CD-OD1 3.3Å; Q60-D62 VanDerWaalsContact CG-OD1 3.23Å; Q60-D62 WeakPolarHBondContact CG-OD1 3.15Å; Q60-D62 PolarHBondContact NE2-OD1 3.47Å; Q60-D62 PolarHBondContact O-N 2.64Å; D62-R64 PolarHBondContact O-N 3.3Å
63A88.1Confident90.4Very high18 Ų1865.9 Ų65.915%0.14932%0.324CS..  trans-66.3126.4179.900000111.3Q60 I68 W84Q60-A63 HydrophobicContact CB-CB 4.07Å; Q60-A63 WeakPolarHBondContact O-CB 3.35Å; Q60-A63 PolarHBondContact O-N 3.35Å; A63-I68 HydrophobicContact CB-CD1 3.63Å; A63-I68 HydrophobicContact CB-CG1 3.89Å; A63-I68 HydrophobicContact CB-CG2 4.5Å; A63-W84 HydrophobicContact CB-CZ3 4.41Å
64R88.4Confident91.3Very high226 Ų22662 Ų6285%0.85331%0.31SS*.  trans-139.8163.6179.8-63.6-175.7-174.8-1711.7110.9D62D62-R64 PolarHBondContact O-N 3.3Å
65G90.7Very high91.8Very high41 Ų4162 Ų6242%0.42331%0.31SS..SBendtrans111.1172.2176.100000113.2K67 I68 E69G65-K67 VanDerWaalsContact C-N 3.26Å; G65-K67 PolarHBondContact O-N 3.45Å; G65-I68 WeakPolarHBondContact O-CB 3.44Å; G65-I68 PolarHBondContact O-N 3.44Å; G65-E69 PolarHBondContact O-N 3.34Å
66D90.7Very high92.1Very high148 Ų14868.2 Ų68.279%0.79134%0.335SS*.Hα-helixtrans-58-37-168.8-56.2-24.9000113.2I68 E69 Q70D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 3.08Å; D66-E69 PolarHBondContact O-N 2.72Å; D66-Q70 WeakPolarHBondContact O-CB 3.46Å; D66-Q70 PolarHBondContact O-N 3.42Å
67K91.2Very high92Very high113 Ų11370.8 Ų70.849%0.49135%0.348SS..Hα-helixtrans-61.3-37.1177.6-72.3-172.9179-177.30113.1H42 G65 L71H42-K67 HydrophobicContact CB-CD 4.29Å; H42-K67 VanDerWaalsContact CD2-CB 3.5Å; H42-K67 WeakPolarHBondContact CD2-CB 3.42Å; H42-K67 PolarHBondContact CD2-O 2.72Å; G65-K67 VanDerWaalsContact C-N 3.26Å; G65-K67 PolarHBondContact O-N 3.45Å; K67-L71 PolarHBondContact O-N 2.7Å
68I92.5Very high91.6Very high9 Ų971.9 Ų71.95%0.04635%0.354CS..Hα-helixtrans-73.8-44.4-179.8-64.6-61.8000109.5M59 A63 G65 D66 Q70 L71 K72 W84 I102M59-I68 HydrophobicContact CE-CB 4.06Å; M59-I68 HydrophobicContact CE-CD1 3.69Å; M59-I68 HydrophobicContact CE-CG1 4.44Å; M59-I68 HydrophobicContact CE-CG2 3.51Å; M59-I68 HydrophobicContact SD-CG2 4.45Å; A63-I68 HydrophobicContact CB-CD1 3.63Å; A63-I68 HydrophobicContact CB-CG1 3.89Å; A63-I68 HydrophobicContact CB-CG2 4.5Å; G65-I68 WeakPolarHBondContact O-CB 3.44Å; G65-I68 PolarHBondContact O-N 3.44Å; D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 3.08Å; I68-Q70 PolarHBondContact O-N 3.09Å; I68-L71 PolarHBondContact O-N 3.3Å; I68-K72 WeakPolarHBondContact O-CG 3.09Å; I68-K72 PolarHBondContact O-N 3.19Å; I68-W84 HydrophobicContact CG2-CH2 4.25Å; I68-I102 HydrophobicContact CD1-CD1 3.9Å; I68-I102 HydrophobicContact CD1-CG1 3.86Å
69E92.7Very high91.1Very high102 Ų10273.1 Ų73.148%0.47737%0.368SS..Hα-helixtrans-64.4-39.1177-64.9-51.6128.900112.4G65 D66 L71 K72 A73G65-E69 PolarHBondContact O-N 3.34Å; D66-E69 PolarHBondContact O-N 2.72Å; E69-L71 PolarHBondContact O-N 3Å; E69-K72 PolarHBondContact O-N 2.72Å; E69-K72 IonicContact OE1-NZ 3.75Å; E69-K72 PolarHBondContact OE1-NZ 3.47Å; E69-K72 IonicContact OE2-NZ 3.71Å; E69-A73 PolarHBondContact O-N 3.05Å
70Q93.7Very high90.7Very high96 Ų9673.4 Ų73.445%0.44937%0.37SS..Hα-helixtrans-58.1-47.8173.5-174.3-174.616.400111.9H42 D66 I68 K72 A73 L74H42-Q70 PolarHBondContact CE1-OE1 2.94Å; H42-Q70 VanDerWaalsContact CE1-OE1 3.24Å; H42-Q70 PolarHBondContact NE2-OE1 3.42Å; D66-Q70 WeakPolarHBondContact O-CB 3.46Å; D66-Q70 PolarHBondContact O-N 3.42Å; I68-Q70 PolarHBondContact O-N 3.09Å; Q70-K72 PolarHBondContact O-N 2.97Å; Q70-A73 PolarHBondContact O-N 3.17Å; Q70-L74 WeakPolarHBondContact O-CB 3.13Å; Q70-L74 PolarHBondContact O-N 3.11Å
71L93.4Very high90.5Very high0 Ų075 Ų750%038%0.383CS..Hα-helixtrans-66.1-36.1179.2-81.1168.7000112.7V46 L49 L57 M59 K67 I68 E69 L74 A75 I102V46-L71 HydrophobicContact CB-CD2 4.49Å; V46-L71 HydrophobicContact CG2-CD2 3.6Å; V46-L71 HydrophobicContact CG2-CG 4.14Å; L49-L71 HydrophobicContact CD1-CD2 3.63Å; L57-L71 HydrophobicContact CD2-CB 4.13Å; M59-L71 HydrophobicContact CE-CB 4.1Å; K67-L71 PolarHBondContact O-N 2.7Å; I68-L71 PolarHBondContact O-N 3.3Å; E69-L71 PolarHBondContact O-N 3Å; L71-L74 PolarHBondContact O-N 2.91Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 3.43Å; L71-I102 HydrophobicContact CD1-CB 4.41Å; L71-I102 HydrophobicContact CD1-CD1 3.31Å; L71-I102 HydrophobicContact CD1-CG1 3.76Å; L71-I102 HydrophobicContact CD1-CG2 3.84Å
72K93.2Very high90.5Very high52 Ų5271.8 Ų71.823%0.22637%0.372CS..Hα-helixtrans-63.7-44.7173.9-72.9174.3-173.8170.60111.9M59 I68 E69 Q70 L74 A75 K76 W84M59-K72 HydrophobicContact CE-CG 4.24Å; M59-K72 HydrophobicContact SD-CG 3.78Å; I68-K72 WeakPolarHBondContact O-CG 3.09Å; I68-K72 PolarHBondContact O-N 3.19Å; E69-K72 PolarHBondContact O-N 2.72Å; E69-K72 IonicContact OE1-NZ 3.75Å; E69-K72 PolarHBondContact OE1-NZ 3.47Å; E69-K72 IonicContact OE2-NZ 3.71Å; Q70-K72 PolarHBondContact O-N 2.97Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-A75 PolarHBondContact O-N 3.35Å; K72-K76 VanDerWaalsContact O-CB 3.3Å; K72-K76 WeakPolarHBondContact O-CB 3.35Å; K72-K76 PolarHBondContact O-N 3.49Å; K72-W84 HydrophobicContact CD-CZ2 4.48Å; K72-W84 VanDerWaalsContact NZ-CZ2 3.32Å
73A93.1Very high90.8Very high60 Ų6072.4 Ų72.450%0.49637%0.37SS..Hα-helixtrans-60.3-47.4177.900000110.5E69 Q70 K76 E77E69-A73 PolarHBondContact O-N 3.05Å; Q70-A73 PolarHBondContact O-N 3.17Å; A73-K76 WeakPolarHBondContact O-CB 3.28Å; A73-K76 PolarHBondContact O-N 3.1Å; A73-E77 WeakPolarHBondContact O-CB 3.49Å; A73-E77 PolarHBondContact O-N 3.33Å
74L91.4Very high91.1Very high15 Ų1576.6 Ų76.68%0.07938%0.382CS..Hα-helixtrans-66.9-41.8179.1-172.468000112.7V46 L49 Q50 Q70 L71 K72 K76 E77 Q78V46-L74 HydrophobicContact CB-CD2 4.44Å; V46-L74 HydrophobicContact CG1-CD2 4.16Å; L49-L74 HydrophobicContact CB-CD2 3.4Å; L49-L74 HydrophobicContact CB-CG 3.75Å; L49-L74 HydrophobicContact CD1-CB 4.44Å; L49-L74 HydrophobicContact CD1-CD2 4Å; L49-L74 HydrophobicContact CD1-CG 4.28Å; L49-L74 HydrophobicContact CG-CD2 4.36Å; Q50-L74 HydrophobicContact CG-CD1 3.84Å; Q50-L74 HydrophobicContact CG-CD2 3.84Å; Q50-L74 HydrophobicContact CG-CG 4.46Å; Q70-L74 WeakPolarHBondContact O-CB 3.13Å; Q70-L74 PolarHBondContact O-N 3.11Å; L71-L74 PolarHBondContact O-N 2.91Å; K72-L74 VanDerWaalsContact C-N 3.33Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 2.7Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 2.69Å; L74-Q78 HydrophobicContact CD1-CG 4.45Å; L74-Q78 WeakPolarHBondContact O-CB 3.3Å; L74-Q78 VanDerWaalsContact O-CG 3.24Å; L74-Q78 WeakPolarHBondContact O-CG 3.48Å; L74-Q78 PolarHBondContact O-N 2.87Å
75A91.1Very high91.5Very high0 Ų066.1 Ų66.10%034%0.343CS..Hα-helixtrans-61.9-39.3174.500000111.4L49 L57 L71 K72 Q78 A79 V80 V82L49-A75 HydrophobicContact CD1-CB 4.28Å; L49-A75 HydrophobicContact CD2-CB 4.34Å; L57-A75 HydrophobicContact CB-CB 4.46Å; L57-A75 HydrophobicContact CD2-CB 3.82Å; L71-A75 WeakPolarHBondContact O-CB 3.3Å; L71-A75 PolarHBondContact O-N 3.43Å; K72-A75 PolarHBondContact O-N 3.35Å; A75-Q78 CarbonylContact O-C 3.5Å; A75-Q78 PolarHBondContact O-N 2.59Å; A75-A79 PolarHBondContact O-N 2.63Å; A75-A79 VanDerWaalsContact O-N 3.09Å; A75-V80 HydrophobicContact CB-CB 4.15Å; A75-V80 PolarHBondContact O-N 2.81Å; A75-V82 HydrophobicContact CB-CG2 3.78Å
76K91.3Very high91.7Very high178 Ų17866.9 Ų66.977%0.77434%0.34SS*.Hα-helixtrans-64.4-45174.9-177.4-178.3177.7-175.50111.9K72 A73 L74 Q78 A79K72-K76 VanDerWaalsContact O-CB 3.3Å; K72-K76 WeakPolarHBondContact O-CB 3.35Å; K72-K76 PolarHBondContact O-N 3.49Å; A73-K76 WeakPolarHBondContact O-CB 3.28Å; A73-K76 PolarHBondContact O-N 3.1Å; L74-K76 VanDerWaalsContact C-N 3.29Å; L74-K76 PolarHBondContact O-N 2.7Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 3.46Å; K76-A79 PolarHBondContact O-N 2.95Å
77E88Confident91.8Very high143 Ų14365 Ų6567%0.66833%0.325SS*.Hα-helixtrans-57.2-43.5175.2-176.3-175.8166.200111.3A73 L74 A79A73-E77 WeakPolarHBondContact O-CB 3.49Å; A73-E77 PolarHBondContact O-N 3.33Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 2.69Å; E77-A79 VanDerWaalsContact C-N 3.25Å; E77-A79 PolarHBondContact O-N 3.14Å
78Q84.4Confident91.9Very high23 Ų2365.9 Ų65.911%0.10733%0.331CS..THydrogen-bonded Turntrans-87.413.1-178.8-60.8-69-2800113.2L49 L74 A75 K76 V80 V169L49-Q78 VanDerWaalsContact O-CG 3.25Å; L49-Q78 WeakPolarHBondContact O-CG 3.06Å; L74-Q78 HydrophobicContact CD1-CG 4.45Å; L74-Q78 WeakPolarHBondContact O-CB 3.3Å; L74-Q78 VanDerWaalsContact O-CG 3.24Å; L74-Q78 WeakPolarHBondContact O-CG 3.48Å; L74-Q78 PolarHBondContact O-N 2.87Å; A75-Q78 CarbonylContact O-C 3.5Å; A75-Q78 PolarHBondContact O-N 2.59Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 3.46Å; Q78-V80 HydrophobicContact CB-CG2 3.94Å; Q78-V80 WeakPolarHBondContact O-CG2 3.48Å; Q78-V80 PolarHBondContact O-N 2.88Å; Q78-V169 WeakPolarHBondContact O-CG2 3.47Å
79A85.1Confident91.9Very high50 Ų5070.2 Ų70.241%0.41335%0.349SS..THydrogen-bonded Turntrans50.528.4-178.100000115.1A75 K76 E77A75-A79 PolarHBondContact O-N 2.63Å; A75-A79 VanDerWaalsContact O-N 3.09Å; K76-A79 PolarHBondContact O-N 2.95Å; E77-A79 VanDerWaalsContact C-N 3.25Å; E77-A79 PolarHBondContact O-N 3.14Å
80V87.8Confident91.9Very high6 Ų665.3 Ų65.34%0.03633%0.327CS..PPolyproline II helixtrans-86.5121.8179.3-179.20000109.6L49 G54 L57 A75 Q78 V82 L104L49-V80 HydrophobicContact CD2-CB 3.99Å; L49-V80 HydrophobicContact CD2-CG1 4.15Å; L49-V80 HydrophobicContact CD2-CG2 3.65Å; G54-V80 WeakPolarHBondContact O-CG2 3.11Å; L57-V80 HydrophobicContact CB-CG1 4.24Å; A75-V80 HydrophobicContact CB-CB 4.15Å; A75-V80 PolarHBondContact O-N 2.81Å; Q78-V80 HydrophobicContact CB-CG2 3.94Å; Q78-V80 WeakPolarHBondContact O-CG2 3.48Å; Q78-V80 PolarHBondContact O-N 2.88Å; V80-V82 PolarHBondContact O-N 2.94Å; V80-L104 HydrophobicContact CG1-CD1 4.23Å
81P89.8Confident91.8Very high67 Ų6763.6 Ų63.644%0.43532%0.321SS..PPolyproline II helixtrans-64.4132.8177.525.6-33.5000110.9N55 K56 L57N55-P81 WeakPolarHBondContact O-CD 3.32Å; N55-P81 WeakPolarHBondContact O-CG 3.29Å; K56-P81 HydrophobicContact CB-CG 4.46Å; K56-P81 HydrophobicContact CG-CG 4.41Å; L57-P81 PolarHBondContact N-O 2.97Å
82V94.6Very high91.7Very high55 Ų5568.4 Ų68.433%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-97.1128.7175.7-1760000109.4L57 M59 A75 V80L57-V82 HydrophobicContact CB-CG2 4.4Å; L57-V82 HydrophobicContact CD2-CG2 4.2Å; L57-V82 CarbonylContact O-C 3.4Å; L57-V82 WeakPolarHBondContact O-CA 3.16Å; M59-V82 HydrophobicContact CG-CG1 3.92Å; M59-V82 HydrophobicContact SD-CG1 3.58Å; M59-V82 VanDerWaalsContact SD-CG1 3.58Å; A75-V82 HydrophobicContact CB-CG2 3.78Å; V80-V82 PolarHBondContact O-N 2.94Å
83K94.9Very high91.4Very high119 Ų11967.1 Ų67.152%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-122.2122.6175.8-168.1175.9-177.4174.90110.6L57 F58 M59 V85L57-K83 PolarHBondContact O-N 3.41Å; F58-K83 WeakPolarHBondContact CA-O 3.33Å; F58-K83 HydrophobicContact CD1-CB 4.19Å; F58-K83 HydrophobicContact CD1-CD 4.39Å; F58-K83 HydrophobicContact CE1-CD 4.18Å; M59-K83 PolarHBondContact N-O 3.5Å; K83-V85 HydrophobicContact CD-CG1 4.09Å; K83-V85 HydrophobicContact CG-CG1 3.92Å
84W95.6Very high91.1Very high105 Ų10564.6 Ų64.640%0.39832%0.324SS..EExtended strand (participates in β ladder)trans-79.2130.3170.4-60.997000109.8M59 Q60 E61 A63 I68 K72M59-W84 HydrophobicContact CB-CD2 4.4Å; M59-W84 HydrophobicContact CB-CE3 3.82Å; M59-W84 HydrophobicContact CB-CZ3 3.96Å; M59-W84 CarbonylContact O-C 3.55Å; M59-W84 VanDerWaalsContact O-CA 3.29Å; M59-W84 WeakPolarHBondContact O-CA 3.33Å; Q60-W84 WeakPolarHBondContact O-CZ3 3.32Å; E61-W84 HydrophobicContact CG-CB 4.14Å; A63-W84 HydrophobicContact CB-CZ3 4.41Å; I68-W84 HydrophobicContact CG2-CH2 4.25Å; K72-W84 HydrophobicContact CD-CZ2 4.48Å; K72-W84 VanDerWaalsContact NZ-CZ2 3.32Å
85V95.4Very high90.8Very high7 Ų771.4 Ų71.44%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-140.8153.9-177-62.40000112F58 M59 Q60 E61 K83 K89 L90F58-V85 HydrophobicContact CB-CG2 4.16Å; F58-V85 HydrophobicContact CD1-CG1 4.04Å; M59-V85 PolarHBondContact O-N 3.28Å; Q60-V85 WeakPolarHBondContact CA-O 3.46Å; E61-V85 PolarHBondContact N-O 2.71Å; E61-V85 VanDerWaalsContact N-O 3.08Å; K83-V85 HydrophobicContact CD-CG1 4.09Å; K83-V85 HydrophobicContact CG-CG1 3.92Å; V85-K89 HydrophobicContact CB-CB 3.95Å; V85-K89 HydrophobicContact CB-CG 4.09Å; V85-K89 HydrophobicContact CG1-CG 4.23Å; V85-K89 HydrophobicContact CG2-CB 4.08Å; V85-K89 HydrophobicContact CG2-CG 4.25Å; V85-L90 HydrophobicContact CG2-CD2 3.43Å; V85-L90 VanDerWaalsContact CG2-CD2 3.43Å; V85-L90 HydrophobicContact CG2-CG 3.8Å
86P95.6Very high90.3Very high56 Ų5674.4 Ų74.436%0.36439%0.392SS..  trans-61.9153.6171.3-23.134.4000111.5E61 Q88 K89E61-P86 VanDerWaalsContact OE1-CD 3.31Å; E61-P86 WeakPolarHBondContact OE1-CD 3.5Å; P86-Q88 VanDerWaalsContact CB-OE1 3.26Å; P86-Q88 PolarHBondContact O-N 3.11Å; P86-Q88 VanDerWaalsContact O-N 3.16Å; P86-K89 WeakPolarHBondContact O-CB 3.19Å; P86-K89 PolarHBondContact O-N 3.5Å
87K93.7Very high89.9Confident108 Ų10866.9 Ų66.947%0.4736%0.364SS..Hα-helixtrans-51.5-41179.7-175.2-177.8172.3-175.90112.9Q60 K89 L90 D91Q60-K87 HydrophobicContact CG-CB 4.22Å; K87-K89 PolarHBondContact O-N 3.09Å; K87-K89 VanDerWaalsContact O-N 3.13Å; K87-L90 WeakPolarHBondContact O-CA 3.44Å; K87-L90 WeakPolarHBondContact O-CB 3.25Å; K87-L90 PolarHBondContact O-N 2.88Å; K87-D91 PolarHBondContact O-N 3.33Å
88Q93.3Very high89.9Confident132 Ų13265.8 Ų65.862%0.61737%0.367SS*.Hα-helixtrans-58.2-32.2-179.3-6084.70.200112.5P86 T92P86-Q88 VanDerWaalsContact CB-OE1 3.26Å; P86-Q88 PolarHBondContact O-N 3.11Å; P86-Q88 VanDerWaalsContact O-N 3.16Å; Q88-T92 PolarHBondContact O-N 3.36Å; Q88-T92 VanDerWaalsContact O-N 3.16Å; Q88-T92 PolarHBondContact O-OG1 3.49Å
89K91.8Very high90.1Very high100 Ų10065.3 Ų65.344%0.43537%0.365SS..Hα-helixtrans-70.6-37.4177.2-172.459.9178.1174.40111.2V85 P86 K87 T92 L93V85-K89 HydrophobicContact CB-CB 3.95Å; V85-K89 HydrophobicContact CB-CG 4.09Å; V85-K89 HydrophobicContact CG1-CG 4.23Å; V85-K89 HydrophobicContact CG2-CB 4.08Å; V85-K89 HydrophobicContact CG2-CG 4.25Å; P86-K89 WeakPolarHBondContact O-CB 3.19Å; P86-K89 PolarHBondContact O-N 3.5Å; K87-K89 PolarHBondContact O-N 3.09Å; K87-K89 VanDerWaalsContact O-N 3.13Å; K89-T92 PolarHBondContact O-N 3.19Å; K89-L93 HydrophobicContact CG-CD1 4.29Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.25Å; K89-L93 PolarHBondContact O-N 3.46Å
90L92.9Very high90.2Very high0 Ų068.5 Ų68.50%037%0.371CS..Hα-helixtrans-67.5-45.9175.4-58.8-179.1000111F58 Q60 V85 K87 T92 L93 S94 G101 V103F58-L90 HydrophobicContact CB-CD2 3.63Å; Q60-L90 HydrophobicContact CB-CD1 3.69Å; Q60-L90 HydrophobicContact CG-CD1 4.13Å; V85-L90 HydrophobicContact CG2-CD2 3.43Å; V85-L90 VanDerWaalsContact CG2-CD2 3.43Å; V85-L90 HydrophobicContact CG2-CG 3.8Å; K87-L90 WeakPolarHBondContact O-CA 3.44Å; K87-L90 WeakPolarHBondContact O-CB 3.25Å; K87-L90 PolarHBondContact O-N 2.88Å; L90-T92 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 2.77Å; L90-S94 PolarHBondContact O-N 2.92Å; L90-S94 PolarHBondContact O-OG 3.42Å; L90-G101 VanDerWaalsContact CD1-C 3.48Å; L90-G101 WeakPolarHBondContact CD1-O 3.38Å; L90-V103 HydrophobicContact CB-CG2 4.12Å; L90-V103 HydrophobicContact CD2-CB 4.11Å; L90-V103 HydrophobicContact CD2-CG2 3.88Å
91D91.2Very high90.4Very high60 Ų6068.5 Ų68.532%0.32137%0.372SS..Hα-helixtrans-53.3-39.5176-65.1-43000111.2K87 S94 D95 G96 H99K87-D91 PolarHBondContact O-N 3.33Å; D91-S94 PolarHBondContact O-OG 2.77Å; D91-D95 PolarHBondContact O-N 2.9Å; D91-G96 PolarHBondContact O-N 2.79Å; D91-H99 IonicContact OD1-CD2 3.31Å; D91-H99 IonicContact OD1-NE2 2.78Å; D91-H99 PolarHBondContact OD1-NE2 3.02Å; D91-H99 VanDerWaalsContact OD1-NE2 3.12Å
92T90.7Very high90.6Very high101 Ų10165.5 Ų65.562%0.6235%0.352SS*.Hα-helixtrans-69.1-44.6176-52.50000112.4Q88 K89 L90 S94 D95Q88-T92 PolarHBondContact O-N 3.36Å; Q88-T92 VanDerWaalsContact O-N 3.16Å; Q88-T92 PolarHBondContact O-OG1 3.49Å; K89-T92 PolarHBondContact O-N 3.19Å; L90-T92 PolarHBondContact O-N 3.45Å; T92-S94 VanDerWaalsContact C-N 3.29Å; T92-S94 PolarHBondContact O-N 2.57Å; T92-D95 PolarHBondContact O-N 3.06Å
93L88.2Confident90.5Very high25 Ų2562.9 Ų62.913%0.13134%0.336CS..Hα-helixtrans-72.4-23.6-177.8-67172.1000112.8F38 F58 K89 L90 V103F38-L93 HydrophobicContact CD1-CB 4.47Å; F38-L93 HydrophobicContact CE1-CD2 3.82Å; F38-L93 HydrophobicContact CE2-CD2 4.21Å; F38-L93 WeakPolarHBondContact CG-O 3.48Å; F38-L93 HydrophobicContact CZ-CD2 3.65Å; F58-L93 HydrophobicContact CB-CD1 4.22Å; F58-L93 HydrophobicContact CD1-CD1 3.87Å; F58-L93 HydrophobicContact CD2-CD1 3.71Å; F58-L93 HydrophobicContact CE1-CD1 4.08Å; F58-L93 HydrophobicContact CE2-CD1 3.94Å; F58-L93 HydrophobicContact CG-CD1 3.66Å; F58-L93 HydrophobicContact CZ-CD1 4.1Å; K89-L93 HydrophobicContact CG-CD1 4.29Å; K89-L93 VanDerWaalsContact O-CG 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.25Å; K89-L93 PolarHBondContact O-N 3.46Å; L90-L93 PolarHBondContact O-N 2.77Å; L93-V103 HydrophobicContact CB-CB 4.39Å; L93-V103 HydrophobicContact CB-CG1 3.84Å; L93-V103 HydrophobicContact CB-CG2 4.36Å
94S86.4Confident90.3Very high6 Ų657.2 Ų57.24%0.04231%0.312CS..THydrogen-bonded Turntrans-97.15.2177.965.10000113.9L90 D91 T92 G96 G97L90-S94 PolarHBondContact O-N 2.92Å; L90-S94 PolarHBondContact O-OG 3.42Å; D91-S94 PolarHBondContact O-OG 2.77Å; T92-S94 VanDerWaalsContact C-N 3.29Å; T92-S94 PolarHBondContact O-N 2.57Å; S94-G96 VanDerWaalsContact C-N 3.25Å; S94-G96 PolarHBondContact O-N 3.49Å; S94-G97 WeakPolarHBondContact O-CA 3.14Å; S94-G97 PolarHBondContact O-N 2.83Å; S94-G97 PolarHBondContact OG-N 3.01Å; S94-G97 PolarHBondContact OG-O 3.31Å
95D84.4Confident90Very high159 Ų15952.2 Ų52.285%0.8529%0.293SS*.THydrogen-bonded Turntrans4747.1-172.6-163.833.7000112.9D91 T92 G97D91-D95 PolarHBondContact O-N 2.9Å; T92-D95 PolarHBondContact O-N 3.06Å; D95-G97 VanDerWaalsContact C-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å
96G80.9Confident89.1Confident63 Ų6352.8 Ų52.865%0.64930%0.296SS*.THydrogen-bonded Turntrans74.74-177.500000116D91 S94D91-G96 PolarHBondContact O-N 2.79Å; S94-G96 VanDerWaalsContact C-N 3.25Å; S94-G96 PolarHBondContact O-N 3.49Å
97G82.9Confident87.6Confident19 Ų1954.5 Ų54.520%0.19631%0.305CS..  trans-62.8158.5175.800000114.8S94 D95 H99S94-G97 WeakPolarHBondContact O-CA 3.14Å; S94-G97 PolarHBondContact O-N 2.83Å; S94-G97 PolarHBondContact OG-N 3.01Å; S94-G97 PolarHBondContact OG-O 3.31Å; D95-G97 VanDerWaalsContact C-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å; G97-H99 VanDerWaalsContact C-N 3.32Å; G97-H99 PolarHBondContact O-CD2 3Å; G97-H99 PolarHBondContact O-N 2.76Å
98V87.7Confident86.1Confident121 Ų12152.9 Ų52.973%0.73331%0.306SS*.  trans-75.582.3178.5-173.90000110.4Q100V98-Q100 HydrophobicContact CG1-CG 4.34Å
99H88.6Confident85Confident12 Ų1249.2 Ų49.26%0.05629%0.287CS..  trans-81.5-13.4-17160.877.1000115.4F40 G41 D91 G97 G101 I102 V103F40-H99 HydrophobicContact CB-CB 3.74Å; F40-H99 HydrophobicContact CG-CB 4.34Å; G41-H99 WeakPolarHBondContact CA-O 3.3Å; G41-H99 PolarHBondContact N-O 2.98Å; D91-H99 IonicContact OD1-CD2 3.31Å; D91-H99 IonicContact OD1-NE2 2.78Å; D91-H99 PolarHBondContact OD1-NE2 3.02Å; D91-H99 VanDerWaalsContact OD1-NE2 3.12Å; G97-H99 VanDerWaalsContact C-N 3.32Å; G97-H99 PolarHBondContact O-CD2 3Å; G97-H99 PolarHBondContact O-N 2.76Å; H99-G101 PolarHBondContact ND1-N 3.28Å; H99-G101 PolarHBondContact O-N 2.81Å; H99-I102 PolarHBondContact O-N 2.73Å; H99-V103 HydrophobicContact CB-CG2 3.87Å
100Q88.7Confident84.3Confident118 Ų11853.1 Ų53.155%0.55131%0.306SS*.THydrogen-bonded Turntrans54.535179-53.7179.3-13.300114V98 I102V98-Q100 HydrophobicContact CG1-CG 4.34Å; Q100-I102 VanDerWaalsContact C-N 3.3Å; Q100-I102 PolarHBondContact O-N 3.46Å
101G92.2Very high84.1Confident5 Ų555.7 Ų55.75%0.05232%0.317CS..THydrogen-bonded Turntrans75.310.1-177.400000115.6M59 Q60 L90 H99M59-G101 WeakPolarHBondContact CA-O 3.47Å; Q60-G101 PolarHBondContact N-O 3.48Å; L90-G101 VanDerWaalsContact CD1-C 3.48Å; L90-G101 WeakPolarHBondContact CD1-O 3.38Å; H99-G101 PolarHBondContact ND1-N 3.28Å; H99-G101 PolarHBondContact O-N 2.81Å
102I93.7Very high84.2Confident4 Ų454.5 Ų54.52%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-136.2127.4-174.9-60145.1000110.7F40 G41 H42 S45 L57 F58 I68 L71 H99 Q100F40-I102 WeakPolarHBondContact CA-O 3.48Å; F40-I102 WeakPolarHBondContact CB-O 3.48Å; G41-I102 PolarHBondContact N-O 3.31Å; H42-I102 HydrophobicContact CB-CD1 4.12Å; S45-I102 VanDerWaalsContact OG-CG2 3.31Å; S45-I102 WeakPolarHBondContact OG-CG2 3.25Å; L57-I102 HydrophobicContact CD1-CG2 3.77Å; F58-I102 WeakPolarHBondContact O-CA 2.99Å; I68-I102 HydrophobicContact CD1-CD1 3.9Å; I68-I102 HydrophobicContact CD1-CG1 3.86Å; L71-I102 HydrophobicContact CD1-CB 4.41Å; L71-I102 HydrophobicContact CD1-CD1 3.31Å; L71-I102 HydrophobicContact CD1-CG1 3.76Å; L71-I102 HydrophobicContact CD1-CG2 3.84Å; H99-I102 PolarHBondContact O-N 2.73Å; Q100-I102 VanDerWaalsContact C-N 3.3Å; Q100-I102 PolarHBondContact O-N 3.46Å
103V92.7Very high84.4Confident0 Ų052.6 Ų52.60%030%0.298CS..EExtended strand (participates in β ladder)trans-132.7132.2166.8-179.20000108.6F38 V39 F40 F58 L90 L93 H99F38-V103 HydrophobicContact CB-CG1 3.99Å; F38-V103 HydrophobicContact CD1-CG1 3.79Å; F38-V103 HydrophobicContact CG-CG1 4.2Å; V39-V103 CarbonylContact O-C 3.59Å; F40-V103 HydrophobicContact CB-CG2 4.03Å; F58-V103 WeakPolarHBondContact CA-O 3.2Å; F58-V103 HydrophobicContact CB-CB 4.37Å; F58-V103 WeakPolarHBondContact CB-O 3.3Å; F58-V103 WeakPolarHBondContact CD2-O 3.13Å; F58-V103 PolarHBondContact N-O 2.99Å; F58-V103 PolarHBondContact O-N 2.97Å; L90-V103 HydrophobicContact CB-CG2 4.12Å; L90-V103 HydrophobicContact CD2-CB 4.11Å; L90-V103 HydrophobicContact CD2-CG2 3.88Å; L93-V103 HydrophobicContact CB-CB 4.39Å; L93-V103 HydrophobicContact CB-CG1 3.84Å; L93-V103 HydrophobicContact CB-CG2 4.36Å; H99-V103 HydrophobicContact CB-CG2 3.87Å
104L90.8Very high84.7Confident0 Ų051.6 Ų51.60%029%0.293CS..EExtended strand (participates in β ladder)trans-110.4120.4175.4-178.471.7000108.7F38 V39 A48 L49 L57 V80F38-L104 WeakPolarHBondContact CA-O 3.13Å; V39-L104 HydrophobicContact CG2-CB 3.77Å; V39-L104 HydrophobicContact CG2-CD2 3.97Å; V39-L104 HydrophobicContact CG2-CG 4.34Å; V39-L104 PolarHBondContact N-O 3.08Å; V39-L104 PolarHBondContact O-N 2.75Å; A48-L104 HydrophobicContact CB-CD2 3.53Å; L49-L104 HydrophobicContact CD2-CD1 3.81Å; L49-L104 HydrophobicContact CD2-CD2 4.22Å; L49-L104 HydrophobicContact CG-CD1 4.16Å; L49-L104 HydrophobicContact CG-CD2 3.91Å; L57-L104 HydrophobicContact CB-CD1 3.96Å; L57-L104 HydrophobicContact CD1-CB 4.28Å; L57-L104 HydrophobicContact CD1-CD1 3.97Å; V80-L104 HydrophobicContact CG1-CD1 4.23Å
105G87.4Confident85.1Confident1 Ų156.7 Ų56.71%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-68.5135.5167.300000110.2G54 N55 K56G54-G105 CarbonylContact C-O 3.54Å; G54-G105 WeakPolarHBondContact CA-O 3.37Å; N55-G105 PolarHBondContact N-O 3.19Å; N55-G105 WeakPolarHBondContact OD1-CA 3.29Å; N55-G105 PolarHBondContact OD1-O 3.26Å; K56-G105 PolarHBondContact O-N 3.29Å
106I78.2Confident85.6Confident19 Ų1952.9 Ų52.910%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-124.3125173.7-60.9-179.9000105.5N37 V39 A48 R53 P108N37-I106 CarbonylContact C-O 3.57Å; N37-I106 WeakPolarHBondContact CA-O 2.93Å; N37-I106 PolarHBondContact O-N 3.24Å; N37-I106 VanDerWaalsContact O-O 3.05Å; V39-I106 HydrophobicContact CB-CD1 4.17Å; V39-I106 HydrophobicContact CG1-CD1 3.51Å; V39-I106 HydrophobicContact CG2-CD1 3.69Å; V39-I106 HydrophobicContact CG2-CG1 4.3Å; A48-I106 HydrophobicContact CB-CD1 4.14Å; R53-I106 HydrophobicContact CB-CD1 4.47Å; R53-I106 HydrophobicContact CB-CG2 4.29Å; I106-P108 WeakPolarHBondContact O-CD 3.4Å
107T62.6Low86.2Confident92 Ų9249.9 Ų49.956%0.56427%0.265SS*.PPolyproline II helixtrans-84.7117.3168.7-55.20000106.6N55 Y109N55-T107 PolarHBondContact ND2-N 2.9Å; N55-T107 VanDerWaalsContact ND2-N 3.14Å; N55-T107 PolarHBondContact ND2-OG1 3.2Å; T107-Y109 PolarHBondContact O-N 2.86Å
108P62.6Low86.7Confident74 Ų7450.4 Ų50.448%0.48126%0.263SS..PPolyproline II helixtrans-65.4118.1164.828.3-32.6000107.3N37 I106N37-P108 WeakPolarHBondContact OD1-CD 3.39Å; N37-P108 WeakPolarHBondContact OD1-CG 3.24Å; I106-P108 WeakPolarHBondContact O-CD 3.4Å
109Y69.7Low87Confident55 Ų5547.4 Ų47.422%0.21625%0.251CS..PPolyproline II helixtrans-80128.3164.5-175-93.1000107.8T107 Y111 I166 V178 I183T107-Y109 PolarHBondContact O-N 2.86Å; Y109-Y111 AromaticContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD2 4.19Å; Y109-Y111 AromaticContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE2 4.12Å; Y109-Y111 AromaticContact CD1-CG 4Å; Y109-Y111 HydrophobicContact CD1-CG 4Å; Y109-Y111 AromaticContact CD1-CZ 3.86Å; Y109-Y111 HydrophobicContact CE1-CD1 4.11Å; Y109-Y111 HydrophobicContact CE1-CE1 4.26Å; Y109-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y109-Y111 WeakPolarHBondContact O-CE2 3.4Å; Y109-Y111 PolarHBondContact O-N 3.45Å; Y109-Y111 VanDerWaalsContact O-N 3.1Å; Y109-I166 HydrophobicContact CD1-CB 4.18Å; Y109-I166 HydrophobicContact CD1-CG1 3.66Å; Y109-I166 HydrophobicContact CD2-CB 3.87Å; Y109-I166 HydrophobicContact CD2-CG1 3.86Å; Y109-I166 HydrophobicContact CD2-CG2 3.59Å; Y109-I166 HydrophobicContact CE1-CG1 3.93Å; Y109-I166 HydrophobicContact CE2-CG1 4.12Å; Y109-I166 HydrophobicContact CE2-CG2 4.22Å; Y109-I166 HydrophobicContact CG-CB 3.64Å; Y109-I166 HydrophobicContact CG-CG1 3.61Å; Y109-I166 HydrophobicContact CG-CG2 3.89Å; Y109-V178 HydrophobicContact CD2-CG2 4.34Å; Y109-V178 HydrophobicContact CE2-CG2 3.64Å; Y109-V178 PolarHBondContact OH-O 2.92Å; Y109-I183 HydrophobicContact CE1-CB 4.28Å; Y109-I183 HydrophobicContact CE1-CD1 4.07Å
110E77Confident86.9Confident181 Ų18152.5 Ų52.585%0.84627%0.273SS*.  trans-74.998.9175.3-70.7-172.4172.700109.3
111Y89.7Confident86.8Confident55 Ų5547.6 Ų47.622%0.21625%0.251CS..PPolyproline II helixtrans-78.7146.3172.7-61.7-84.4000110.4Y109 I158 G165 I166 I183 R185Y109-Y111 AromaticContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD1 3.73Å; Y109-Y111 HydrophobicContact CD1-CD2 4.19Å; Y109-Y111 AromaticContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE1 3.67Å; Y109-Y111 HydrophobicContact CD1-CE2 4.12Å; Y109-Y111 AromaticContact CD1-CG 4Å; Y109-Y111 HydrophobicContact CD1-CG 4Å; Y109-Y111 AromaticContact CD1-CZ 3.86Å; Y109-Y111 HydrophobicContact CE1-CD1 4.11Å; Y109-Y111 HydrophobicContact CE1-CE1 4.26Å; Y109-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y109-Y111 WeakPolarHBondContact O-CE2 3.4Å; Y109-Y111 PolarHBondContact O-N 3.45Å; Y109-Y111 VanDerWaalsContact O-N 3.1Å; Y111-I158 HydrophobicContact CD1-CD1 4.32Å; Y111-I158 HydrophobicContact CE1-CD1 3.7Å; Y111-G165 WeakPolarHBondContact OH-CA 3.49Å; Y111-I166 HydrophobicContact CE1-CG1 4.06Å; Y111-I166 PolarHBondContact OH-N 3.12Å; Y111-I183 HydrophobicContact CD1-CB 4.45Å; Y111-I183 HydrophobicContact CD1-CG2 3.87Å; Y111-I183 HydrophobicContact CE1-CG2 4.09Å; Y111-R185 HydrophobicContact CD1-CB 3.85Å; Y111-R185 HydrophobicContact CD1-CG 4.49Å; Y111-R185 HydrophobicContact CD2-CB 4.39Å; Y111-R185 HydrophobicContact CG-CB 3.7Å; Y111-R185 HydrophobicContact CG-CG 4.44Å
112L92.6Very high86.1Confident34 Ų3453 Ų5318%0.17828%0.283CS..BIsolated β-bridgetrans-74.1155167.9-60.1-179.6000110.9D116 L117 K120 P182 I183 A184 R185L112-D116 HydrophobicContact CB-CB 4.15Å; L112-D116 HydrophobicContact CD2-CB 4.24Å; L112-L117 HydrophobicContact CD1-CB 4.43Å; L112-L117 HydrophobicContact CD1-CD1 4.32Å; L112-K120 HydrophobicContact CD1-CD 3.98Å; L112-P182 HydrophobicContact CD1-CB 3.73Å; L112-I183 PolarHBondContact N-O 3.1Å; L112-A184 HydrophobicContact CB-CB 4.25Å; L112-A184 CarbonylContact O-C 3.51Å; L112-A184 WeakPolarHBondContact O-CA 3.32Å; L112-R185 PolarHBondContact O-N 2.73Å
113T94.5Very high85.1Confident61 Ų6158.4 Ų58.437%0.37432%0.321SS..PPolyproline II helixtrans-74.3167.3157.667.90000110E115 D116 L117T113-E115 VanDerWaalsContact C-N 3.26Å; T113-E115 WeakPolarHBondContact CB-OE2 3.26Å; T113-D116 WeakPolarHBondContact CB-OD2 3.38Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.48Å; T113-D116 PolarHBondContact N-OD2 2.7Å; T113-D116 PolarHBondContact O-N 2.89Å; T113-D116 WeakPolarHBondContact OG1-CB 3.37Å; T113-D116 PolarHBondContact OG1-N 2.8Å; T113-D116 PolarHBondContact OG1-OD2 2.79Å; T113-L117 PolarHBondContact O-N 2.85Å; T113-L117 VanDerWaalsContact O-N 3.13Å
114L96.2Very high84.2Confident4 Ų462.4 Ų62.42%0.02134%0.339CS..Hα-helixtrans-65.7-38175.1179.760.3000110.4L117 L118 I157 V186 Q195 L196L114-L117 PolarHBondContact O-N 2.92Å; L114-L118 HydrophobicContact CD1-CD1 4.39Å; L114-L118 HydrophobicContact CD1-CG 4.4Å; L114-L118 HydrophobicContact CG-CD1 4.07Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 2.8Å; L114-I157 HydrophobicContact CD1-CD1 3.64Å; L114-I157 HydrophobicContact CD1-CG1 4.23Å; L114-V186 HydrophobicContact CB-CG1 3.97Å; L114-Q195 HydrophobicContact CD2-CB 4.1Å; L114-L196 HydrophobicContact CD1-CD2 4.11Å
115E95Very high83.1Confident113 Ų11367.1 Ų67.153%0.52838%0.379SS..Hα-helixtrans-62-44.6177.8-63.480.5177.600111.3T113 L117 L118 A119T113-E115 VanDerWaalsContact C-N 3.26Å; T113-E115 WeakPolarHBondContact CB-OE2 3.26Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.78Å; E115-L118 PolarHBondContact O-N 3.26Å; E115-A119 WeakPolarHBondContact O-CB 3.26Å; E115-A119 PolarHBondContact O-N 2.76Å
116D93.9Very high82.6Confident79 Ų7969.6 Ų69.642%0.42240%0.399SS..Hα-helixtrans-63.8-40.7175.4-64-41.1000111.9L112 T113 A119 K120L112-D116 HydrophobicContact CB-CB 4.15Å; L112-D116 HydrophobicContact CD2-CB 4.24Å; T113-D116 WeakPolarHBondContact CB-OD2 3.38Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.48Å; T113-D116 PolarHBondContact N-OD2 2.7Å; T113-D116 PolarHBondContact O-N 2.89Å; T113-D116 WeakPolarHBondContact OG1-CB 3.37Å; T113-D116 PolarHBondContact OG1-N 2.8Å; T113-D116 PolarHBondContact OG1-OD2 2.79Å; D116-A119 PolarHBondContact O-N 2.71Å; D116-K120 WeakPolarHBondContact O-CG 3.3Å; D116-K120 PolarHBondContact O-N 3.41Å; D116-K120 VanDerWaalsContact O-N 3.14Å
117L94.2Very high82.9Confident0 Ų069 Ų690%040%0.396CS..Hα-helixtrans-64.2-45.1177.3178.563.5000111.2L112 T113 L114 E115 K120 N121 L129 I157 P182 A184L112-L117 HydrophobicContact CD1-CB 4.43Å; L112-L117 HydrophobicContact CD1-CD1 4.32Å; T113-L117 PolarHBondContact O-N 2.85Å; T113-L117 VanDerWaalsContact O-N 3.13Å; L114-L117 PolarHBondContact O-N 2.92Å; E115-L117 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.78Å; L117-K120 PolarHBondContact O-N 2.81Å; L117-N121 PolarHBondContact O-N 3.4Å; L117-N121 PolarHBondContact O-ND2 2.89Å; L117-L129 HydrophobicContact CD2-CD2 4.1Å; L117-L129 HydrophobicContact CG-CD2 4.37Å; L117-I157 HydrophobicContact CD2-CD1 4.19Å; L117-I157 HydrophobicContact CD2-CG1 3.66Å; L117-P182 HydrophobicContact CD1-CB 3.71Å; L117-A184 HydrophobicContact CB-CB 3.97Å; L117-A184 HydrophobicContact CD2-CB 3.69Å; L117-A184 HydrophobicContact CG-CB 4.43Å
118L93.6Very high84Confident31 Ų3166.4 Ų66.416%0.16238%0.377CS..Hα-helixtrans-64.5-40.7177.2-72.7171.3000112L114 E115 K120 N121 T122 L196 A199 Y201L114-L118 HydrophobicContact CD1-CD1 4.39Å; L114-L118 HydrophobicContact CD1-CG 4.4Å; L114-L118 HydrophobicContact CG-CD1 4.07Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 2.8Å; E115-L118 PolarHBondContact O-N 3.26Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 2.75Å; L118-N121 PolarHBondContact O-N 3.49Å; L118-N121 VanDerWaalsContact O-N 3.14Å; L118-T122 WeakPolarHBondContact O-CG2 3.38Å; L118-T122 PolarHBondContact O-N 2.66Å; L118-L196 HydrophobicContact CD1-CD2 4.37Å; L118-L196 HydrophobicContact CD2-CD2 3.73Å; L118-L196 HydrophobicContact CG-CD2 4.38Å; L118-A199 HydrophobicContact CD1-CB 4.5Å; L118-A199 HydrophobicContact CD2-CB 4.46Å; L118-Y201 HydrophobicContact CD2-CD2 4.33Å; L118-Y201 HydrophobicContact CD2-CE2 3.48Å; L118-Y201 VanDerWaalsContact CD2-CE2 3.48Å
119A92.5Very high85.3Confident58 Ų5862.9 Ų62.948%0.47935%0.354SS..Hα-helixtrans-59.2-39.5176.800000112.1E115 D116 N121 T122E115-A119 WeakPolarHBondContact O-CB 3.26Å; E115-A119 PolarHBondContact O-N 2.76Å; D116-A119 PolarHBondContact O-N 2.71Å; A119-N121 VanDerWaalsContact C-N 3.3Å; A119-N121 PolarHBondContact O-N 2.85Å; A119-T122 PolarHBondContact O-OG1 2.79Å
120K87.4Confident86.4Confident118 Ų11860.3 Ų60.351%0.51334%0.344SS..Hα-helixtrans-63.6-33.5176.6-75.1-176.1178-168.50113.2L112 D116 L117 L118L112-K120 HydrophobicContact CD1-CD 3.98Å; D116-K120 WeakPolarHBondContact O-CG 3.3Å; D116-K120 PolarHBondContact O-N 3.41Å; D116-K120 VanDerWaalsContact O-N 3.14Å; L117-K120 PolarHBondContact O-N 2.81Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 2.75Å
121N85.6Confident87.2Confident16 Ų1651.8 Ų51.89%0.08631%0.305CS..G310 helixtrans-94.45.3-173.3-64.8-20.1000113.8L117 L118 A119 S123 E124 P127 S154L117-N121 PolarHBondContact O-N 3.4Å; L117-N121 PolarHBondContact O-ND2 2.89Å; L118-N121 PolarHBondContact O-N 3.49Å; L118-N121 VanDerWaalsContact O-N 3.14Å; A119-N121 VanDerWaalsContact C-N 3.3Å; A119-N121 PolarHBondContact O-N 2.85Å; N121-S123 PolarHBondContact O-N 3.43Å; N121-E124 PolarHBondContact O-N 3.31Å; N121-P127 HydrophobicContact CB-CB 3.93Å; N121-P127 HydrophobicContact CB-CG 4.4Å; N121-S154 PolarHBondContact ND2-O 3.31Å
122T77.8Confident87.4Confident119 Ų11949.3 Ų49.373%0.7330%0.295SS*.G310 helixtrans-63.5-24.5-179.851.60000114.6L118 A119L118-T122 WeakPolarHBondContact O-CG2 3.38Å; L118-T122 PolarHBondContact O-N 2.66Å; A119-T122 PolarHBondContact O-OG1 2.79Å
123S73.1Confident87.4Confident116 Ų11648 Ų4881%0.81129%0.288SS*.G310 helixtrans-90.5-8.7-179.265.20000114.1N121N121-S123 PolarHBondContact O-N 3.43Å
124E73.9Confident87.1Confident84 Ų8446.6 Ų46.639%0.39328%0.281SS..  trans-88.3133.6-178.8-168.9168-167.800110.2N121 A126 P127 S154N121-E124 PolarHBondContact O-N 3.31Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.93Å; E124-P127 HydrophobicContact CB-CB 4.25Å; E124-P127 HydrophobicContact CG-CB 4.29Å; E124-S154 VanDerWaalsContact CD-OG 3.27Å; E124-S154 PolarHBondContact OE1-OG 3.21Å; E124-S154 VanDerWaalsContact OE2-CB 3.26Å; E124-S154 WeakPolarHBondContact OE2-CB 3.37Å; E124-S154 PolarHBondContact OE2-OG 3.35Å
125A67.6Low86.7Confident100 Ų10046.6 Ų46.683%0.82628%0.281SS*.SBendtrans-69.7-30.3-17500000113.1
126A76.1Confident86.2Confident53 Ų5347.4 Ų47.444%0.43829%0.285SS..SBendtrans-149.769.4-177.700000110.2E124E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.93Å
127P86Confident85.5Confident5 Ų546.4 Ų46.43%0.03228%0.279CS..  trans-63.7139.5-178.426.8-34.4000111N121 E124 S154 Y201 P221 I222N121-P127 HydrophobicContact CB-CB 3.93Å; N121-P127 HydrophobicContact CB-CG 4.4Å; E124-P127 HydrophobicContact CB-CB 4.25Å; E124-P127 HydrophobicContact CG-CB 4.29Å; P127-S154 WeakPolarHBondContact CA-OG 3.36Å; P127-Y201 HydrophobicContact CB-CE1 4.26Å; P127-Y201 HydrophobicContact CG-CE1 3.82Å; P127-Y201 WeakPolarHBondContact CG-OH 3.49Å; P127-P221 HydrophobicContact CG-CB 3.95Å; P127-P221 HydrophobicContact CG-CG 4.35Å; P127-P221 WeakPolarHBondContact O-CA 3.45Å; P127-I222 PolarHBondContact O-N 3.31Å
128F84.2Confident84.7Confident39 Ų3947.3 Ų47.317%0.17129%0.285CS..EExtended strand (participates in β ladder)trans-114.9113.9179.4-178.4-135.5000110.5L130 V153 S154 I222 L224 M266F128-L130 HydrophobicContact CE1-CD2 4.26Å; F128-L130 HydrophobicContact CZ-CD2 3.95Å; F128-V153 HydrophobicContact CD1-CG2 3.74Å; F128-V153 HydrophobicContact CE1-CG2 3.89Å; F128-V153 CarbonylContact O-C 3.57Å; F128-V153 WeakPolarHBondContact O-CG1 3.06Å; F128-S154 PolarHBondContact N-OG 2.78Å; F128-S154 PolarHBondContact O-N 3.14Å; F128-I222 WeakPolarHBondContact CA-O 3.45Å; F128-I222 HydrophobicContact CD2-CB 3.94Å; F128-I222 HydrophobicContact CD2-CG2 3.69Å; F128-I222 HydrophobicContact CE2-CB 4.46Å; F128-I222 HydrophobicContact CE2-CG2 3.71Å; F128-L224 HydrophobicContact CE2-CB 3.77Å; F128-L224 HydrophobicContact CZ-CB 4.01Å; F128-L224 HydrophobicContact CZ-CD2 4.08Å; F128-M266 HydrophobicContact CE1-CG 4.32Å; F128-M266 HydrophobicContact CE1-SD 3.89Å
129L91.5Very high83.8Confident0 Ų051.2 Ų51.20%030%0.303CS..EExtended strand (participates in β ladder)trans-106.2145.4-179.1-63.1-179.7000111.5L117 G155 I157 L196 Y201 I222 A223 L224L117-L129 HydrophobicContact CD2-CD2 4.1Å; L117-L129 HydrophobicContact CG-CD2 4.37Å; L129-G155 WeakPolarHBondContact CA-O 3.36Å; L129-I157 HydrophobicContact CD1-CD1 4.19Å; L129-L196 HydrophobicContact CD1-CD2 3.85Å; L129-Y201 HydrophobicContact CD1-CD1 4.12Å; L129-Y201 HydrophobicContact CD1-CE1 3.5Å; L129-Y201 HydrophobicContact CG-CD1 4.48Å; L129-Y201 HydrophobicContact CG-CE1 3.77Å; L129-I222 PolarHBondContact N-O 3.07Å; L129-A223 HydrophobicContact CB-CB 4.04Å; L129-A223 CarbonylContact O-C 3.52Å; L129-A223 VanDerWaalsContact O-CA 3.28Å; L129-A223 WeakPolarHBondContact O-CA 3.32Å; L129-L224 PolarHBondContact O-N 3.04Å
130L91.4Very high83.3Confident1 Ų149.3 Ų49.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-104.3138.6166-63.4179000110.5F128 L132 I144 A148 V153 G155 V156 I157 L224F128-L130 HydrophobicContact CE1-CD2 4.26Å; F128-L130 HydrophobicContact CZ-CD2 3.95Å; L130-L132 HydrophobicContact CB-CD2 4.28Å; L130-I144 HydrophobicContact CD1-CG2 4.01Å; L130-A148 HydrophobicContact CD1-CB 3.92Å; L130-V153 HydrophobicContact CB-CG1 4.45Å; L130-V153 HydrophobicContact CD1-CG1 4.17Å; L130-V153 HydrophobicContact CD1-CG2 4.01Å; L130-V153 HydrophobicContact CG-CG1 3.86Å; L130-V153 HydrophobicContact CG-CG2 4.06Å; L130-G155 PolarHBondContact N-O 2.75Å; L130-V156 HydrophobicContact CB-CG2 4.25Å; L130-V156 CarbonylContact O-C 3.22Å; L130-V156 WeakPolarHBondContact O-CA 3.33Å; L130-I157 PolarHBondContact O-N 3.43Å; L130-L224 CarbonylContact C-O 3.51Å; L130-L224 WeakPolarHBondContact CA-O 3.49Å; L130-L224 HydrophobicContact CD2-CB 4.08Å; L130-L224 HydrophobicContact CD2-CD2 4.18Å
131I95.2Very high83.1Confident2 Ų243.7 Ų43.71%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-116.2117.3172.5-59.2169.7000107.6I157 L189 I193 L196 A223 L224 I225 I226I131-I157 WeakPolarHBondContact CA-O 3.48Å; I131-I157 HydrophobicContact CG1-CB 4.25Å; I131-I157 HydrophobicContact CG1-CD1 4.12Å; I131-L189 HydrophobicContact CG2-CD2 3.73Å; I131-I193 HydrophobicContact CD1-CG1 4.01Å; I131-L196 HydrophobicContact CD1-CD1 3.74Å; I131-L196 HydrophobicContact CG1-CD1 4.48Å; I131-A223 HydrophobicContact CD1-CB 3.86Å; I131-A223 HydrophobicContact CG1-CB 4.34Å; I131-L224 PolarHBondContact N-O 3.25Å; I131-I225 HydrophobicContact CB-CB 4.44Å; I131-I225 HydrophobicContact CB-CG1 4.05Å; I131-I225 HydrophobicContact CB-CG2 4.46Å; I131-I225 HydrophobicContact CD1-CG1 4.05Å; I131-I225 HydrophobicContact CG2-CG1 4.37Å; I131-I225 HydrophobicContact CG2-CG2 4.36Å; I131-I225 CarbonylContact O-C 3.59Å; I131-I225 VanDerWaalsContact O-CA 3.29Å; I131-I225 WeakPolarHBondContact O-CA 3.28Å; I131-I226 PolarHBondContact O-N 3.44Å
132L93.6Very high82.8Confident2 Ų243 Ų431%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-100.6107.4-178-47.5-175.9000109.3L130 S134 L135 F141 I144 V156 I157 I158 P159 I226L130-L132 HydrophobicContact CB-CD2 4.28Å; L132-S134 PolarHBondContact O-N 2.91Å; L132-L135 HydrophobicContact CB-CD1 3.89Å; L132-L135 HydrophobicContact CB-CG 4.17Å; L132-L135 HydrophobicContact CD1-CD1 3.74Å; L132-L135 HydrophobicContact CD2-CD1 4.36Å; L132-L135 HydrophobicContact CG-CD1 4.2Å; L132-F141 HydrophobicContact CD1-CD2 3.47Å; L132-F141 VanDerWaalsContact CD1-CD2 3.47Å; L132-F141 HydrophobicContact CD1-CE2 3.43Å; L132-F141 VanDerWaalsContact CD1-CE2 3.43Å; L132-I144 HydrophobicContact CD1-CG2 4.13Å; L132-I144 HydrophobicContact CD2-CD1 4.44Å; L132-I144 HydrophobicContact CD2-CG2 3.96Å; L132-V156 HydrophobicContact CD1-CG1 3.6Å; L132-V156 HydrophobicContact CG-CG1 3.78Å; L132-I157 PolarHBondContact N-O 2.85Å; L132-I158 HydrophobicContact CB-CG2 4.12Å; L132-I158 HydrophobicContact CD1-CG2 4.04Å; L132-I158 HydrophobicContact CG-CG2 4.24Å; L132-P159 WeakPolarHBondContact O-CD 3.22Å; L132-I226 HydrophobicContact CD2-CB 3.93Å; L132-I226 HydrophobicContact CD2-CG1 4.15Å
133D93.3Very high82.8Confident7 Ų739.2 Ų39.24%0.03723%0.234CC..  trans-84.898.5179.4-176.111.2000110.6L135 L189 I225 I226 N228 S234 L237D133-L135 PolarHBondContact O-N 3.45Å; D133-L189 HydrophobicContact CB-CD1 4.27Å; D133-I225 HydrophobicContact CB-CG2 4.17Å; D133-I226 PolarHBondContact N-O 2.97Å; D133-N228 PolarHBondContact O-N 2.58Å; D133-N228 VanDerWaalsContact O-N 3.11Å; D133-S234 WeakPolarHBondContact OD2-CB 3.46Å; D133-S234 PolarHBondContact OD2-N 2.77Å; D133-S234 PolarHBondContact OD2-OG 3.08Å; D133-L237 HydrophobicContact CB-CD1 3.82Å; D133-L237 VanDerWaalsContact OD2-CD1 3.32Å; D133-L237 WeakPolarHBondContact OD2-CD1 3.38Å
134S88.2Confident83.2Confident32 Ų3233.7 Ų33.722%0.22420%0.196CC..SBendtrans59.842.3165-47.70000113.9L132 E136 R162 N228L132-S134 PolarHBondContact O-N 2.91Å; S134-E136 PolarHBondContact O-N 3.03Å; S134-R162 WeakPolarHBondContact CA-O 3.27Å; S134-R162 WeakPolarHBondContact CB-O 2.97Å; S134-N228 PolarHBondContact O-ND2 3.43Å
135L87.2Confident83.5Confident4 Ų429.7 Ų29.72%0.02118%0.177CC..  trans-63.6131.9169.9-66.8179.6000110.2L132 D133 F141 I144 S163 V164 E229L132-L135 HydrophobicContact CB-CD1 3.89Å; L132-L135 HydrophobicContact CB-CG 4.17Å; L132-L135 HydrophobicContact CD1-CD1 3.74Å; L132-L135 HydrophobicContact CD2-CD1 4.36Å; L132-L135 HydrophobicContact CG-CD1 4.2Å; D133-L135 PolarHBondContact O-N 3.45Å; L135-F141 HydrophobicContact CD1-CB 4.43Å; L135-I144 HydrophobicContact CD1-CD1 3.41Å; L135-I144 VanDerWaalsContact CD1-CD1 3.41Å; L135-S163 CarbonylContact O-C 3.53Å; L135-S163 VanDerWaalsContact O-CA 3.25Å; L135-S163 WeakPolarHBondContact O-CA 3.45Å; L135-V164 HydrophobicContact CB-CG1 4.3Å; L135-V164 WeakPolarHBondContact O-CG1 3.02Å; L135-V164 PolarHBondContact O-N 3.45Å; L135-E229 HydrophobicContact CD2-CG 4.33Å
136E83.3Confident83.6Confident129 Ų12926.5 Ų26.560%0.60314%0.144SC*.  trans-106-23.8-178-67.1179.1174.800112S134 P138S134-E136 PolarHBondContact O-N 3.03Å; E136-P138 WeakPolarHBondContact O-CD 3.25Å
137D80.5Confident83.3Confident59 Ų5924.8 Ų24.832%0.31613%0.128SC..  trans-90.7116.5-177.2-175.4-6.6000112.1H139 N140 F141D137-H139 PolarHBondContact O-N 2.85Å; D137-H139 WeakPolarHBondContact OD1-CB 2.98Å; D137-H139 IonicContact OD1-CD2 2.7Å; D137-H139 IonicContact OD1-CG 3Å; D137-H139 PolarHBondContact OD1-N 2.8Å; D137-N140 HydrophobicContact CB-CB 4.15Å; D137-N140 WeakPolarHBondContact CB-ND2 3.34Å; D137-N140 PolarHBondContact O-N 3.35Å; D137-N140 PolarHBondContact OD2-ND2 3.39Å; D137-F141 PolarHBondContact O-N 3.42Å; D137-F141 VanDerWaalsContact O-N 3.08Å
138P76.9Confident82.5Confident19 Ų1924.6 Ų24.612%0.12313%0.126CC..Hα-helixtrans-60.3-27.8175.823.8-33.3000113.8E136 G142 V164 V169 V170E136-P138 WeakPolarHBondContact O-CD 3.25Å; P138-G142 PolarHBondContact O-N 2.88Å; P138-V164 HydrophobicContact CB-CG2 3.82Å; P138-V169 HydrophobicContact CB-CB 3.86Å; P138-V169 HydrophobicContact CB-CG1 3.71Å; P138-V169 HydrophobicContact CG-CB 4.18Å; P138-V169 HydrophobicContact CG-CG1 3.77Å; P138-V170 HydrophobicContact CB-CG2 3.68Å; P138-V170 VanDerWaalsContact O-CG2 3.3Å; P138-V170 WeakPolarHBondContact O-CG2 3.41Å
139H75.5Confident82Confident113 Ų11325.3 Ų25.352%0.52313%0.132SC..Hα-helixtrans-70.3-41.5177-73.1-75.6000111.8D137 G142 S143D137-H139 PolarHBondContact O-N 2.85Å; D137-H139 WeakPolarHBondContact OD1-CB 2.98Å; D137-H139 IonicContact OD1-CD2 2.7Å; D137-H139 IonicContact OD1-CG 3Å; D137-H139 PolarHBondContact OD1-N 2.8Å; H139-G142 PolarHBondContact O-N 3.29Å; H139-S143 WeakPolarHBondContact O-CB 3.39Å; H139-S143 PolarHBondContact O-N 3.34Å
140N81.3Confident80.4Confident17 Ų1725.7 Ų25.79%0.09114%0.136CC..Hα-helixtrans-66.8-43.1175.8-66.7-30.1000110.9D137 G142 S143 I144 E229 N257D137-N140 HydrophobicContact CB-CB 4.15Å; D137-N140 WeakPolarHBondContact CB-ND2 3.34Å; D137-N140 PolarHBondContact O-N 3.35Å; D137-N140 PolarHBondContact OD2-ND2 3.39Å; N140-G142 PolarHBondContact O-N 2.7Å; N140-S143 PolarHBondContact O-N 3.18Å; N140-I144 WeakPolarHBondContact O-CD1 2.95Å; N140-I144 VanDerWaalsContact O-CG1 3.27Å; N140-I144 WeakPolarHBondContact O-CG1 3.37Å; N140-I144 PolarHBondContact O-N 2.78Å; N140-E229 VanDerWaalsContact CB-OE1 3.29Å; N140-E229 WeakPolarHBondContact CB-OE1 3.33Å; N140-E229 WeakPolarHBondContact ND2-CG 3.45Å; N140-E229 PolarHBondContact ND2-OE1 3.27Å; N140-N257 PolarHBondContact OD1-ND2 3.09Å
141F83.2Confident78.8Confident1 Ų127.9 Ų27.90%0.00415%0.151CC..Hα-helixtrans-60.8-46.9176-176-155.6000111.7L132 L135 D137 S143 I144 L145 V156 I158 V164 I166 V170L132-F141 HydrophobicContact CD1-CD2 3.47Å; L132-F141 VanDerWaalsContact CD1-CD2 3.47Å; L132-F141 HydrophobicContact CD1-CE2 3.43Å; L132-F141 VanDerWaalsContact CD1-CE2 3.43Å; L135-F141 HydrophobicContact CD1-CB 4.43Å; D137-F141 PolarHBondContact O-N 3.42Å; D137-F141 VanDerWaalsContact O-N 3.08Å; F141-S143 VanDerWaalsContact C-N 3.33Å; F141-S143 PolarHBondContact O-N 3.23Å; F141-I144 PolarHBondContact O-N 3.15Å; F141-L145 HydrophobicContact CD2-CD1 4.17Å; F141-L145 HydrophobicContact CD2-CD2 4.33Å; F141-L145 HydrophobicContact CD2-CG 3.88Å; F141-L145 HydrophobicContact CE1-CD1 4.43Å; F141-L145 HydrophobicContact CE2-CD1 3.8Å; F141-L145 HydrophobicContact CE2-CD2 3.6Å; F141-L145 HydrophobicContact CE2-CG 3.58Å; F141-L145 HydrophobicContact CZ-CD1 3.96Å; F141-L145 HydrophobicContact CZ-CD2 4.2Å; F141-L145 HydrophobicContact CZ-CG 4.23Å; F141-L145 WeakPolarHBondContact O-CG 3.47Å; F141-L145 PolarHBondContact O-N 2.75Å; F141-V156 HydrophobicContact CE2-CG1 4.36Å; F141-I158 HydrophobicContact CE1-CD1 4.26Å; F141-I158 HydrophobicContact CE2-CG2 4.15Å; F141-I158 HydrophobicContact CZ-CD1 4.15Å; F141-I158 HydrophobicContact CZ-CG2 3.94Å; F141-V164 HydrophobicContact CB-CG1 3.59Å; F141-V164 HydrophobicContact CD1-CG1 3.74Å; F141-V164 HydrophobicContact CG-CG1 4.01Å; F141-I166 HydrophobicContact CD1-CD1 4.45Å; F141-I166 HydrophobicContact CE1-CD1 3.61Å; F141-I166 HydrophobicContact CZ-CD1 3.87Å; F141-V170 HydrophobicContact CB-CG2 4.19Å; F141-V170 HydrophobicContact CD1-CG1 3.89Å; F141-V170 HydrophobicContact CD1-CG2 3.76Å; F141-V170 HydrophobicContact CE1-CG1 4.3Å; F141-V170 HydrophobicContact CG-CG1 4.34Å; F141-V170 HydrophobicContact CG-CG2 4.33Å
142G79.5Confident77.6Confident0 Ų030.2 Ų30.20%018%0.176CC..Hα-helixtrans-58-44.2175.200000112.8P138 H139 N140 I144 L145 R146 S174P138-G142 PolarHBondContact O-N 2.88Å; H139-G142 PolarHBondContact O-N 3.29Å; N140-G142 PolarHBondContact O-N 2.7Å; G142-I144 PolarHBondContact O-N 3.15Å; G142-L145 PolarHBondContact O-N 2.82Å; G142-R146 WeakPolarHBondContact O-CB 3.18Å; G142-R146 PolarHBondContact O-N 2.9Å; G142-S174 VanDerWaalsContact O-CA 3.28Å; G142-S174 WeakPolarHBondContact O-CA 3.47Å; G142-S174 WeakPolarHBondContact O-CB 3.03Å
143S78Confident76.8Confident40 Ų4030.6 Ų30.628%0.2818%0.178SC..Hα-helixtrans-63.6-37.9176.9-169.30000113H139 N140 F141 R146 T147H139-S143 WeakPolarHBondContact O-CB 3.39Å; H139-S143 PolarHBondContact O-N 3.34Å; N140-S143 PolarHBondContact O-N 3.18Å; F141-S143 VanDerWaalsContact C-N 3.33Å; F141-S143 PolarHBondContact O-N 3.23Å; S143-R146 WeakPolarHBondContact O-CB 3.26Å; S143-R146 PolarHBondContact O-N 3.09Å; S143-T147 PolarHBondContact O-N 2.99Å; S143-T147 PolarHBondContact O-OG1 3.33Å
144I80.5Confident76.5Confident0 Ų030.8 Ų30.80%018%0.18CC..Hα-helixtrans-67.3-46.4176.8-70.2162.3000110.3L130 L132 L135 N140 F141 G142 R146 T147 A148 I226 A258L130-I144 HydrophobicContact CD1-CG2 4.01Å; L132-I144 HydrophobicContact CD1-CG2 4.13Å; L132-I144 HydrophobicContact CD2-CD1 4.44Å; L132-I144 HydrophobicContact CD2-CG2 3.96Å; L135-I144 HydrophobicContact CD1-CD1 3.41Å; L135-I144 VanDerWaalsContact CD1-CD1 3.41Å; N140-I144 WeakPolarHBondContact O-CD1 2.95Å; N140-I144 VanDerWaalsContact O-CG1 3.27Å; N140-I144 WeakPolarHBondContact O-CG1 3.37Å; N140-I144 PolarHBondContact O-N 2.78Å; F141-I144 PolarHBondContact O-N 3.15Å; G142-I144 PolarHBondContact O-N 3.15Å; I144-R146 PolarHBondContact O-N 2.67Å; I144-T147 PolarHBondContact O-N 3.4Å; I144-T147 VanDerWaalsContact O-N 3.1Å; I144-A148 VanDerWaalsContact O-CB 3.27Å; I144-A148 WeakPolarHBondContact O-CB 3.32Å; I144-A148 PolarHBondContact O-N 2.85Å; I144-I226 HydrophobicContact CD1-CG2 4.43Å; I144-A258 HydrophobicContact CD1-CB 3.78Å; I144-A258 HydrophobicContact CG1-CB 4.37Å
145L79.8Confident76.7Confident0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-57.3-41.6175.7-69.3178.5000111.6F141 G142 T147 A148 D149 V156 I166 V170 V178 V181 I183F141-L145 HydrophobicContact CD2-CD1 4.17Å; F141-L145 HydrophobicContact CD2-CD2 4.33Å; F141-L145 HydrophobicContact CD2-CG 3.88Å; F141-L145 HydrophobicContact CE1-CD1 4.43Å; F141-L145 HydrophobicContact CE2-CD1 3.8Å; F141-L145 HydrophobicContact CE2-CD2 3.6Å; F141-L145 HydrophobicContact CE2-CG 3.58Å; F141-L145 HydrophobicContact CZ-CD1 3.96Å; F141-L145 HydrophobicContact CZ-CD2 4.2Å; F141-L145 HydrophobicContact CZ-CG 4.23Å; F141-L145 WeakPolarHBondContact O-CG 3.47Å; F141-L145 PolarHBondContact O-N 2.75Å; G142-L145 PolarHBondContact O-N 2.82Å; L145-T147 VanDerWaalsContact C-N 3.33Å; L145-T147 PolarHBondContact O-N 2.63Å; L145-A148 PolarHBondContact O-N 2.93Å; L145-D149 PolarHBondContact O-N 2.96Å; L145-V156 HydrophobicContact CD2-CB 4.38Å; L145-V156 HydrophobicContact CD2-CG1 4.42Å; L145-V156 HydrophobicContact CD2-CG2 4.02Å; L145-I166 HydrophobicContact CD1-CD1 3.75Å; L145-V170 HydrophobicContact CD1-CG1 3.73Å; L145-V178 HydrophobicContact CD1-CB 4.26Å; L145-V178 HydrophobicContact CD1-CG2 4.25Å; L145-V181 HydrophobicContact CD2-CB 4.5Å; L145-V181 HydrophobicContact CD2-CG1 4.19Å; L145-I183 HydrophobicContact CD1-CD1 4.09Å; L145-I183 HydrophobicContact CD2-CD1 3.88Å; L145-I183 HydrophobicContact CD2-CG1 4.01Å
146R70.8Confident77Confident33 Ų3329.1 Ų29.113%0.12517%0.168CC..Hα-helixtrans-60.7-42.3176.7-150.4175.6170.9-149.6-10.3112.3G142 S143 I144 A150 A173 S174 T175 A177 Q363 L364 S365G142-R146 WeakPolarHBondContact O-CB 3.18Å; G142-R146 PolarHBondContact O-N 2.9Å; S143-R146 WeakPolarHBondContact O-CB 3.26Å; S143-R146 PolarHBondContact O-N 3.09Å; I144-R146 PolarHBondContact O-N 2.67Å; R146-A150 PolarHBondContact O-N 3.37Å; R146-A173 WeakPolarHBondContact CD-O 3.16Å; R146-S174 WeakPolarHBondContact CG-O 3.01Å; R146-T175 VanDerWaalsContact CZ-OG1 3.29Å; R146-T175 PolarHBondContact NE-OG1 3.4Å; R146-A177 HydrophobicContact CB-CB 4.48Å; R146-Q363 PolarHBondContact NE-O 2.73Å; R146-Q363 VanDerWaalsContact NH2-C 3.26Å; R146-Q363 PolarHBondContact NH2-O 2.78Å; R146-L364 HydrophobicContact CB-CD2 4.44Å; R146-L364 VanDerWaalsContact CD-C 3.41Å; R146-L364 WeakPolarHBondContact CD-O 3.14Å; R146-L364 HydrophobicContact CG-CB 3.72Å; R146-L364 HydrophobicContact CG-CD2 3.44Å; R146-L364 VanDerWaalsContact CG-CD2 3.44Å; R146-L364 HydrophobicContact CG-CG 4.18Å; R146-L364 WeakPolarHBondContact CG-O 3.43Å; R146-L364 VanDerWaalsContact CZ-O 3.22Å; R146-L364 PolarHBondContact NE-O 3.44Å; R146-L364 VanDerWaalsContact NH2-C 3.26Å; R146-S365 PolarHBondContact NH1-O 3.47Å
147T69.8Low77.6Confident18 Ų1823 Ų2311%0.1114%0.14CC..Hα-helixtrans-72.9-37.3178-490000111.3S143 I144 L145 A150 S151 A262 M266S143-T147 PolarHBondContact O-N 2.99Å; S143-T147 PolarHBondContact O-OG1 3.33Å; I144-T147 PolarHBondContact O-N 3.4Å; I144-T147 VanDerWaalsContact O-N 3.1Å; L145-T147 VanDerWaalsContact C-N 3.33Å; L145-T147 PolarHBondContact O-N 2.63Å; T147-A150 WeakPolarHBondContact O-CB 3.33Å; T147-A150 PolarHBondContact O-N 3.01Å; T147-S151 WeakPolarHBondContact O-CB 3.22Å; T147-S151 PolarHBondContact O-N 3.3Å; T147-S151 VanDerWaalsContact O-N 3.09Å; T147-S151 PolarHBondContact O-OG 3.11Å; T147-A262 HydrophobicContact CG2-CB 4.35Å; T147-M266 HydrophobicContact CG2-CE 3.26Å
148A70.1Confident78.3Confident0 Ų020.3 Ų20.30%013%0.125CC..Hα-helixtrans-61.9-47.5177.900000111.4L130 I144 L145 S151 G152 V153 V156 V181L130-A148 HydrophobicContact CD1-CB 3.92Å; I144-A148 VanDerWaalsContact O-CB 3.27Å; I144-A148 WeakPolarHBondContact O-CB 3.32Å; I144-A148 PolarHBondContact O-N 2.85Å; L145-A148 PolarHBondContact O-N 2.93Å; A148-S151 PolarHBondContact O-N 3.45Å; A148-G152 PolarHBondContact O-N 3.25Å; A148-V153 HydrophobicContact CB-CB 3.78Å; A148-V153 HydrophobicContact CB-CG1 4.08Å; A148-V153 HydrophobicContact CB-CG2 3.88Å; A148-V153 WeakPolarHBondContact O-CB 3.18Å; A148-V153 PolarHBondContact O-N 2.76Å; A148-V156 HydrophobicContact CB-CG2 4.35Å; A148-V181 HydrophobicContact CB-CG2 4.46Å
149D72Confident79.1Confident54 Ų5419.9 Ų19.929%0.28912%0.123SC..Hα-helixtrans-58.2-48.4173.1-176.444.4000111.7L145 S151 G152 A177 V181L145-D149 PolarHBondContact O-N 2.96Å; D149-S151 PolarHBondContact O-N 3.14Å; D149-S151 VanDerWaalsContact O-N 3.14Å; D149-G152 PolarHBondContact O-N 3.21Å; D149-A177 HydrophobicContact CB-CB 3.72Å; D149-V181 HydrophobicContact CB-CG2 3.64Å
150A57.7Low79.7Confident9 Ų919 Ų197%0.07412%0.117CC..Hα-helixtrans-58.4-32.5-178.900000113.4R146 T147 L361 L364R146-A150 PolarHBondContact O-N 3.37Å; T147-A150 WeakPolarHBondContact O-CB 3.33Å; T147-A150 PolarHBondContact O-N 3.01Å; A150-L361 HydrophobicContact CB-CD2 3.73Å; A150-L361 HydrophobicContact CB-CG 4.42Å; A150-L364 VanDerWaalsContact CA-CD1 3.45Å; A150-L364 HydrophobicContact CB-CB 4.17Å; A150-L364 HydrophobicContact CB-CD1 3.32Å; A150-L364 HydrophobicContact CB-CG 4.35Å
151S59.5Low79.9Confident46 Ų4624.3 Ų24.332%0.32214%0.141SC..THydrogen-bonded Turntrans-105.23.7-168.4-45.20000113.1T147 A148 D149 M266T147-S151 WeakPolarHBondContact O-CB 3.22Å; T147-S151 PolarHBondContact O-N 3.3Å; T147-S151 VanDerWaalsContact O-N 3.09Å; T147-S151 PolarHBondContact O-OG 3.11Å; A148-S151 PolarHBondContact O-N 3.45Å; D149-S151 PolarHBondContact O-N 3.14Å; D149-S151 VanDerWaalsContact O-N 3.14Å; S151-M266 WeakPolarHBondContact CB-SD 3.46Å; S151-M266 WeakPolarHBondContact OG-CE 3.42Å; S151-M266 PolarHBondContact OG-SD 3.42Å
152G68.8Low79.9Confident52 Ų5234.6 Ų34.654%0.53618%0.18SC..THydrogen-bonded Turntrans74.630.8177.400000114.4A148 D149 S154A148-G152 PolarHBondContact O-N 3.25Å; D149-G152 PolarHBondContact O-N 3.21Å; G152-S154 PolarHBondContact O-N 3.25Å
153V77.4Confident80Confident10 Ų1035.8 Ų35.86%0.06119%0.188CC..  trans-63.1124.6171.6167.60000109.7F128 L130 A148 G155 V156 M266F128-V153 HydrophobicContact CD1-CG2 3.74Å; F128-V153 HydrophobicContact CE1-CG2 3.89Å; F128-V153 CarbonylContact O-C 3.57Å; F128-V153 WeakPolarHBondContact O-CG1 3.06Å; L130-V153 HydrophobicContact CB-CG1 4.45Å; L130-V153 HydrophobicContact CD1-CG1 4.17Å; L130-V153 HydrophobicContact CD1-CG2 4.01Å; L130-V153 HydrophobicContact CG-CG1 3.86Å; L130-V153 HydrophobicContact CG-CG2 4.06Å; A148-V153 HydrophobicContact CB-CB 3.78Å; A148-V153 HydrophobicContact CB-CG1 4.08Å; A148-V153 HydrophobicContact CB-CG2 3.88Å; A148-V153 WeakPolarHBondContact O-CB 3.18Å; A148-V153 PolarHBondContact O-N 2.76Å; V153-G155 VanDerWaalsContact CG1-O 3.23Å; V153-G155 WeakPolarHBondContact CG1-O 3.42Å; V153-G155 PolarHBondContact O-N 3.04Å; V153-V156 HydrophobicContact CG1-CG2 4.3Å; V153-M266 HydrophobicContact CG2-SD 4.17Å
154S86.8Confident80.2Confident11 Ų1134.4 Ų34.48%0.07718%0.178CC..  trans-68.9-17.1-178.2-41.20000113.3N121 E124 P127 F128 G152N121-S154 PolarHBondContact ND2-O 3.31Å; E124-S154 VanDerWaalsContact CD-OG 3.27Å; E124-S154 PolarHBondContact OE1-OG 3.21Å; E124-S154 VanDerWaalsContact OE2-CB 3.26Å; E124-S154 WeakPolarHBondContact OE2-CB 3.37Å; E124-S154 PolarHBondContact OE2-OG 3.35Å; P127-S154 WeakPolarHBondContact CA-OG 3.36Å; F128-S154 PolarHBondContact N-OG 2.78Å; F128-S154 PolarHBondContact O-N 3.14Å; G152-S154 PolarHBondContact O-N 3.25Å
155G91.4Very high80.4Confident0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans166.5173.5168.600000115L129 L130 V153 P182L129-G155 WeakPolarHBondContact CA-O 3.36Å; L130-G155 PolarHBondContact N-O 2.75Å; V153-G155 VanDerWaalsContact CG1-O 3.23Å; V153-G155 WeakPolarHBondContact CG1-O 3.42Å; V153-G155 PolarHBondContact O-N 3.04Å; G155-P182 CarbonylContact C-O 3.4Å; G155-P182 VanDerWaalsContact CA-O 3.23Å; G155-P182 WeakPolarHBondContact CA-O 2.86Å
156V93.9Very high80.6Confident0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-126.6132.8-172.6179.80000110.1L130 L132 F141 L145 A148 V153 I158 V181 P182 I183 A184L130-V156 HydrophobicContact CB-CG2 4.25Å; L130-V156 CarbonylContact O-C 3.22Å; L130-V156 WeakPolarHBondContact O-CA 3.33Å; L132-V156 HydrophobicContact CD1-CG1 3.6Å; L132-V156 HydrophobicContact CG-CG1 3.78Å; F141-V156 HydrophobicContact CE2-CG1 4.36Å; L145-V156 HydrophobicContact CD2-CB 4.38Å; L145-V156 HydrophobicContact CD2-CG1 4.42Å; L145-V156 HydrophobicContact CD2-CG2 4.02Å; A148-V156 HydrophobicContact CB-CG2 4.35Å; V153-V156 HydrophobicContact CG1-CG2 4.3Å; V156-I158 HydrophobicContact CG1-CG2 4.02Å; V156-V181 HydrophobicContact CB-CG1 4.34Å; V156-V181 HydrophobicContact CG2-CG1 3.53Å; V156-P182 PolarHBondContact N-O 2.82Å; V156-I183 HydrophobicContact CB-CG1 4.23Å; V156-I183 CarbonylContact O-C 3.57Å; V156-I183 VanDerWaalsContact O-CA 3.27Å; V156-I183 WeakPolarHBondContact O-CA 3.3Å; V156-A184 PolarHBondContact O-N 3.22Å
157I96.9Very high80.8Confident1 Ų134.3 Ų34.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-111.4125.5178.8-59.4165.9000108.7L114 L117 L129 L130 I131 L132 A184 V186 L189 L196L114-I157 HydrophobicContact CD1-CD1 3.64Å; L114-I157 HydrophobicContact CD1-CG1 4.23Å; L117-I157 HydrophobicContact CD2-CD1 4.19Å; L117-I157 HydrophobicContact CD2-CG1 3.66Å; L129-I157 HydrophobicContact CD1-CD1 4.19Å; L130-I157 PolarHBondContact O-N 3.43Å; I131-I157 WeakPolarHBondContact CA-O 3.48Å; I131-I157 HydrophobicContact CG1-CB 4.25Å; I131-I157 HydrophobicContact CG1-CD1 4.12Å; L132-I157 PolarHBondContact N-O 2.85Å; I157-A184 WeakPolarHBondContact CA-O 3.44Å; I157-A184 HydrophobicContact CG1-CB 4.36Å; I157-V186 HydrophobicContact CG2-CG1 3.97Å; I157-V186 HydrophobicContact CG2-CG2 3.79Å; I157-L189 HydrophobicContact CG2-CD2 4.05Å; I157-L196 HydrophobicContact CD1-CD1 3.81Å; I157-L196 HydrophobicContact CD1-CD2 4.35Å
158I95Very high80.8Confident3 Ų335.2 Ų35.22%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-126.7151.4177.668.6172.5000111.2Y111 L132 F141 V156 I183 A184 R185 V186Y111-I158 HydrophobicContact CD1-CD1 4.32Å; Y111-I158 HydrophobicContact CE1-CD1 3.7Å; L132-I158 HydrophobicContact CB-CG2 4.12Å; L132-I158 HydrophobicContact CD1-CG2 4.04Å; L132-I158 HydrophobicContact CG-CG2 4.24Å; F141-I158 HydrophobicContact CE1-CD1 4.26Å; F141-I158 HydrophobicContact CE2-CG2 4.15Å; F141-I158 HydrophobicContact CZ-CD1 4.15Å; F141-I158 HydrophobicContact CZ-CG2 3.94Å; V156-I158 HydrophobicContact CG1-CG2 4.02Å; I158-I183 HydrophobicContact CD1-CG2 4.08Å; I158-I183 HydrophobicContact CG1-CG2 4.15Å; I158-I183 HydrophobicContact CG2-CG2 4.46Å; I158-A184 PolarHBondContact N-O 3.23Å; I158-R185 HydrophobicContact CG1-CB 4.34Å; I158-R185 HydrophobicContact CG1-CG 4.06Å; I158-R185 WeakPolarHBondContact O-CA 3.04Å; I158-V186 PolarHBondContact O-N 3.14Å
159P94Very high81.1Confident10 Ų1035.5 Ų35.57%0.06519%0.19CC..EExtended strand (participates in β ladder)trans-74.3158.7175.426.7-28.9000112.1L132 H161 S163 V186 L189L132-P159 WeakPolarHBondContact O-CD 3.22Å; P159-H161 VanDerWaalsContact C-N 3.34Å; P159-S163 PolarHBondContact O-OG 2.75Å; P159-V186 CarbonylContact C-O 3.55Å; P159-V186 VanDerWaalsContact CA-O 3.29Å; P159-V186 WeakPolarHBondContact CA-O 3.21Å; P159-L189 HydrophobicContact CB-CD1 4.17Å; P159-L189 HydrophobicContact CB-CG 4.13Å; P159-L189 HydrophobicContact CG-CD1 4Å; P159-L189 HydrophobicContact CG-CG 4.46Å
160K88Confident81.4Confident93 Ų9332.9 Ų32.940%0.40418%0.176SC..SBendtrans-69.3-32.1173.5-79.4-176.1-177.8-174.80112.7R185 V186K160-R185 HydrophobicContact CG-CG 3.73Å; K160-R185 PolarHBondContact O-NH2 3.09Å; K160-V186 PolarHBondContact N-O 2.62Å
161H85.2Confident82.3Confident130 Ų13035 Ų3560%0.60219%0.188SC*.SBendtrans-124.2153.6-172.5-53.9-64.1000110.9P159 S163P159-H161 VanDerWaalsContact C-N 3.34Å; H161-S163 PolarHBondContact O-N 3.48Å
162R82.1Confident82.9Confident216 Ų21640.2 Ų40.282%0.81521%0.205SC*.SBendtrans57.332.1176.3-50.3180-170.8174.52.1113.5S134S134-R162 WeakPolarHBondContact CA-O 3.27Å; S134-R162 WeakPolarHBondContact CB-O 2.97Å
163S83.3Confident83Confident25 Ų2538.8 Ų38.818%0.17519%0.188CC..SBendtrans-141152.717254.60000109.7L135 P159 H161L135-S163 CarbonylContact O-C 3.53Å; L135-S163 VanDerWaalsContact O-CA 3.25Å; L135-S163 WeakPolarHBondContact O-CA 3.45Å; P159-S163 PolarHBondContact O-OG 2.75Å; H161-S163 PolarHBondContact O-N 3.48Å
164V82.1Confident82.6Confident11 Ų1138.3 Ų38.37%0.06719%0.185CC..  trans-69.5132.616865.30000110.1L135 P138 F141 T167 V170L135-V164 HydrophobicContact CB-CG1 4.3Å; L135-V164 WeakPolarHBondContact O-CG1 3.02Å; L135-V164 PolarHBondContact O-N 3.45Å; P138-V164 HydrophobicContact CB-CG2 3.82Å; F141-V164 HydrophobicContact CB-CG1 3.59Å; F141-V164 HydrophobicContact CD1-CG1 3.74Å; F141-V164 HydrophobicContact CG-CG1 4.01Å; V164-T167 HydrophobicContact CG2-CG2 4.37Å; V164-V170 HydrophobicContact CG2-CG2 4.17Å
165G84.5Confident81.9Confident8 Ų841.6 Ų41.68%0.08221%0.205CC..  trans-91.9-171.3172.300000111.6Y111 T167Y111-G165 WeakPolarHBondContact OH-CA 3.49Å; G165-T167 WeakPolarHBondContact O-CG2 3.12Å; G165-T167 PolarHBondContact O-N 2.86Å
166I83Confident80.6Confident20 Ų2042.8 Ų42.810%0.10322%0.217CC..SBendtrans-67.9123.8165.5-57.7-48.3000109.7Y109 Y111 F141 L145 V170 V178 I183Y109-I166 HydrophobicContact CD1-CB 4.18Å; Y109-I166 HydrophobicContact CD1-CG1 3.66Å; Y109-I166 HydrophobicContact CD2-CB 3.87Å; Y109-I166 HydrophobicContact CD2-CG1 3.86Å; Y109-I166 HydrophobicContact CD2-CG2 3.59Å; Y109-I166 HydrophobicContact CE1-CG1 3.93Å; Y109-I166 HydrophobicContact CE2-CG1 4.12Å; Y109-I166 HydrophobicContact CE2-CG2 4.22Å; Y109-I166 HydrophobicContact CG-CB 3.64Å; Y109-I166 HydrophobicContact CG-CG1 3.61Å; Y109-I166 HydrophobicContact CG-CG2 3.89Å; Y111-I166 HydrophobicContact CE1-CG1 4.06Å; Y111-I166 PolarHBondContact OH-N 3.12Å; F141-I166 HydrophobicContact CD1-CD1 4.45Å; F141-I166 HydrophobicContact CE1-CD1 3.61Å; F141-I166 HydrophobicContact CZ-CD1 3.87Å; L145-I166 HydrophobicContact CD1-CD1 3.75Å; I166-V170 HydrophobicContact CD1-CG1 3.72Å; I166-V178 HydrophobicContact CB-CG2 4.45Å; I166-V178 HydrophobicContact CD1-CG2 3.47Å; I166-V178 VanDerWaalsContact CD1-CG2 3.47Å; I166-V178 HydrophobicContact CG1-CG2 3.8Å; I166-V178 HydrophobicContact CG2-CG2 3.79Å; I166-I183 HydrophobicContact CD1-CD1 3.76Å; I166-I183 HydrophobicContact CG1-CD1 4.14Å
167T75.5Confident79.4Confident4 Ų442.8 Ų42.83%0.02522%0.217CC..  trans-140160.1-173.759.50000107.6G52 V164 G165 V169 V170 T171G52-T167 WeakPolarHBondContact O-CB 3.45Å; G52-T167 WeakPolarHBondContact O-CG2 2.99Å; V164-T167 HydrophobicContact CG2-CG2 4.37Å; G165-T167 WeakPolarHBondContact O-CG2 3.12Å; G165-T167 PolarHBondContact O-N 2.86Å; T167-V169 PolarHBondContact O-N 2.98Å; T167-V170 CarbonylContact O-C 3.55Å; T167-V170 WeakPolarHBondContact O-CA 3.38Å; T167-V170 WeakPolarHBondContact O-CB 3.5Å; T167-V170 PolarHBondContact O-N 2.99Å; T167-V170 WeakPolarHBondContact OG1-CB 3.27Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.43Å; T167-V170 PolarHBondContact OG1-N 3.23Å; T167-V170 VanDerWaalsContact OG1-N 3.09Å; T167-T171 PolarHBondContact O-N 3.17Å; T167-T171 PolarHBondContact O-OG1 3.38Å; T167-T171 VanDerWaalsContact O-OG1 3.14Å
168P70.2Confident78.5Confident36 Ų3642.8 Ų42.823%0.23422%0.217CC..Hα-helixtrans-60-30.4175.8-18.427.8000113.1G52 G54 N55 T171 K172G52-P168 WeakPolarHBondContact O-CD 3.09Å; G54-P168 VanDerWaalsContact O-CD 3.27Å; G54-P168 WeakPolarHBondContact O-CD 3.48Å; G54-P168 WeakPolarHBondContact O-CG 2.85Å; N55-P168 VanDerWaalsContact CA-CG 3.5Å; N55-P168 HydrophobicContact CB-CG 3.92Å; P168-T171 PolarHBondContact O-N 3.49Å; P168-K172 WeakPolarHBondContact O-CB 3.29Å; P168-K172 PolarHBondContact O-N 3.41Å
169V74.7Confident77.6Confident6 Ų649.1 Ų49.14%0.03625%0.247CC..Hα-helixtrans-63.3-47173.7-175.40000110.1Q78 P138 T167 K172 A173Q78-V169 WeakPolarHBondContact O-CG2 3.47Å; P138-V169 HydrophobicContact CB-CB 3.86Å; P138-V169 HydrophobicContact CB-CG1 3.71Å; P138-V169 HydrophobicContact CG-CB 4.18Å; P138-V169 HydrophobicContact CG-CG1 3.77Å; T167-V169 PolarHBondContact O-N 2.98Å; V169-K172 PolarHBondContact O-N 3Å; V169-A173 VanDerWaalsContact O-CB 3.23Å; V169-A173 WeakPolarHBondContact O-CB 3.07Å; V169-A173 PolarHBondContact O-N 2.97Å
170V79.3Confident76.9Confident0 Ų057 Ų570%028%0.276CS..Hα-helixtrans-62.3-47.5175170.90000111.2P138 F141 L145 V164 I166 T167 K172 A173 S174P138-V170 HydrophobicContact CB-CG2 3.68Å; P138-V170 VanDerWaalsContact O-CG2 3.3Å; P138-V170 WeakPolarHBondContact O-CG2 3.41Å; F141-V170 HydrophobicContact CB-CG2 4.19Å; F141-V170 HydrophobicContact CD1-CG1 3.89Å; F141-V170 HydrophobicContact CD1-CG2 3.76Å; F141-V170 HydrophobicContact CE1-CG1 4.3Å; F141-V170 HydrophobicContact CG-CG1 4.34Å; F141-V170 HydrophobicContact CG-CG2 4.33Å; L145-V170 HydrophobicContact CD1-CG1 3.73Å; V164-V170 HydrophobicContact CG2-CG2 4.17Å; I166-V170 HydrophobicContact CD1-CG1 3.72Å; T167-V170 CarbonylContact O-C 3.55Å; T167-V170 WeakPolarHBondContact O-CA 3.38Å; T167-V170 WeakPolarHBondContact O-CB 3.5Å; T167-V170 PolarHBondContact O-N 2.99Å; T167-V170 WeakPolarHBondContact OG1-CB 3.27Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.43Å; T167-V170 PolarHBondContact OG1-N 3.23Å; T167-V170 VanDerWaalsContact OG1-N 3.09Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 2.87Å; V170-A173 PolarHBondContact O-N 3.33Å; V170-S174 VanDerWaalsContact O-CB 3.22Å; V170-S174 WeakPolarHBondContact O-CB 3.14Å; V170-S174 PolarHBondContact O-N 3.44Å; V170-S174 PolarHBondContact O-OG 2.91Å; V170-S174 VanDerWaalsContact O-OG 3.08Å
171T75.8Confident76.7Confident52 Ų5252.8 Ų52.832%0.31926%0.258SS..Hα-helixtrans-57.9-41177.1-56.80000111.6T167 P168 S174 T175 V178T167-T171 PolarHBondContact O-N 3.17Å; T167-T171 PolarHBondContact O-OG1 3.38Å; T167-T171 VanDerWaalsContact O-OG1 3.14Å; P168-T171 PolarHBondContact O-N 3.49Å; T171-S174 PolarHBondContact O-OG 3.25Å; T171-T175 PolarHBondContact O-N 3.19Å; T171-V178 HydrophobicContact CG2-CG1 4.04Å
172K72.9Confident77Confident156 Ų15648.2 Ų48.268%0.67824%0.24SC*.Hα-helixtrans-69.8-46.4176.8-175.3179.5179.2-176.50111.6P168 V169 V170 S174 T175P168-K172 WeakPolarHBondContact O-CB 3.29Å; P168-K172 PolarHBondContact O-N 3.41Å; V169-K172 PolarHBondContact O-N 3Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 2.87Å; K172-S174 VanDerWaalsContact C-N 3.31Å; K172-S174 PolarHBondContact O-N 3.21Å; K172-T175 PolarHBondContact O-N 3.32Å
173A70.4Confident77.5Confident22 Ų2238 Ų3818%0.18220%0.202CC..Hα-helixtrans-67.2-31.9-179.800000112.3R146 V169 V170 T175R146-A173 WeakPolarHBondContact CD-O 3.16Å; V169-A173 VanDerWaalsContact O-CB 3.23Å; V169-A173 WeakPolarHBondContact O-CB 3.07Å; V169-A173 PolarHBondContact O-N 2.97Å; V170-A173 PolarHBondContact O-N 3.33Å; A173-T175 VanDerWaalsContact C-N 3.29Å; A173-T175 PolarHBondContact O-N 2.99Å
174S68.5Low78.1Confident0 Ų036.9 Ų36.90%019%0.194CC..THydrogen-bonded Turntrans-79.3-7.1176.8740000113.9G142 R146 V170 T171 K172 G176 A177G142-S174 VanDerWaalsContact O-CA 3.28Å; G142-S174 WeakPolarHBondContact O-CA 3.47Å; G142-S174 WeakPolarHBondContact O-CB 3.03Å; R146-S174 WeakPolarHBondContact CG-O 3.01Å; V170-S174 VanDerWaalsContact O-CB 3.22Å; V170-S174 WeakPolarHBondContact O-CB 3.14Å; V170-S174 PolarHBondContact O-N 3.44Å; V170-S174 PolarHBondContact O-OG 2.91Å; V170-S174 VanDerWaalsContact O-OG 3.08Å; T171-S174 PolarHBondContact O-OG 3.25Å; K172-S174 VanDerWaalsContact C-N 3.31Å; K172-S174 PolarHBondContact O-N 3.21Å; S174-G176 PolarHBondContact O-N 2.77Å; S174-G176 VanDerWaalsContact O-N 3.13Å; S174-A177 VanDerWaalsContact O-CB 3.27Å; S174-A177 WeakPolarHBondContact O-CB 3.16Å; S174-A177 PolarHBondContact O-N 3Å
175T72.8Confident78.7Confident81 Ų8139.9 Ų39.950%0.49720%0.204SC..THydrogen-bonded Turntrans51.736.8-179.8-48.40000112.3R146 T171 K172 A173 Q363R146-T175 VanDerWaalsContact CZ-OG1 3.29Å; R146-T175 PolarHBondContact NE-OG1 3.4Å; T171-T175 PolarHBondContact O-N 3.19Å; K172-T175 PolarHBondContact O-N 3.32Å; A173-T175 VanDerWaalsContact C-N 3.29Å; A173-T175 PolarHBondContact O-N 2.99Å; T175-Q363 WeakPolarHBondContact CG2-O 3.23Å
176G64.5Low79.2Confident24 Ų2440 Ų4025%0.24720%0.203CC..THydrogen-bonded Turntrans89.4-7.6179.100000115.8S174 V178 E179S174-G176 PolarHBondContact O-N 2.77Å; S174-G176 VanDerWaalsContact O-N 3.13Å; G176-V178 PolarHBondContact O-N 3.25Å; G176-E179 WeakPolarHBondContact O-CB 3.46Å; G176-E179 PolarHBondContact O-N 3.03Å
177A69.6Low79.6Confident1 Ų143.6 Ų43.61%0.00823%0.226CC..G310 helixtrans-56.5-24.7177.300000113.7R146 D149 S174 E179 Y180 V181 L364R146-A177 HydrophobicContact CB-CB 4.48Å; D149-A177 HydrophobicContact CB-CB 3.72Å; S174-A177 VanDerWaalsContact O-CB 3.27Å; S174-A177 WeakPolarHBondContact O-CB 3.16Å; S174-A177 PolarHBondContact O-N 3Å; A177-E179 PolarHBondContact O-N 3.43Å; A177-Y180 PolarHBondContact O-N 2.69Å; A177-V181 WeakPolarHBondContact O-CG2 3.33Å; A177-V181 PolarHBondContact O-N 3.01Å; A177-V181 VanDerWaalsContact O-N 3.07Å; A177-L364 HydrophobicContact CB-CD2 4.26Å
178V78.1Confident80.5Confident0 Ų047.1 Ų47.10%025%0.245CC..G310 helixtrans-57.7-26.5174.567.70000113.4Y109 L145 I166 T171 G176 Y180 I183Y109-V178 HydrophobicContact CD2-CG2 4.34Å; Y109-V178 HydrophobicContact CE2-CG2 3.64Å; Y109-V178 PolarHBondContact OH-O 2.92Å; L145-V178 HydrophobicContact CD1-CB 4.26Å; L145-V178 HydrophobicContact CD1-CG2 4.25Å; I166-V178 HydrophobicContact CB-CG2 4.45Å; I166-V178 HydrophobicContact CD1-CG2 3.47Å; I166-V178 VanDerWaalsContact CD1-CG2 3.47Å; I166-V178 HydrophobicContact CG1-CG2 3.8Å; I166-V178 HydrophobicContact CG2-CG2 3.79Å; T171-V178 HydrophobicContact CG2-CG1 4.04Å; G176-V178 PolarHBondContact O-N 3.25Å; V178-Y180 VanDerWaalsContact C-N 3.31Å; V178-I183 HydrophobicContact CG2-CD1 4.09Å
179E75.5Confident81.7Confident137 Ų13746.1 Ų46.164%0.6424%0.237SC*.G310 helixtrans-77.6-17.8179.2-56.6-61.314700112.8G176 A177G176-E179 WeakPolarHBondContact O-CB 3.46Å; G176-E179 PolarHBondContact O-N 3.03Å; A177-E179 PolarHBondContact O-N 3.43Å
180Y80Confident82.7Confident174 Ų17447 Ų4768%0.68225%0.245SC*.THydrogen-bonded Turntrans-110.6-30.3-172.4-58.3-70.5000113.1A177 V178 P182A177-Y180 PolarHBondContact O-N 2.69Å; V178-Y180 VanDerWaalsContact C-N 3.31Å; Y180-P182 WeakPolarHBondContact O-CD 2.98Å
181V82.5Confident83.5Confident5 Ų552.5 Ų52.53%0.0327%0.271CS..SBendtrans-85.2117.8-178.5-179.40000110.5L145 A148 D149 V156 A177 I183L145-V181 HydrophobicContact CD2-CB 4.5Å; L145-V181 HydrophobicContact CD2-CG1 4.19Å; A148-V181 HydrophobicContact CB-CG2 4.46Å; D149-V181 HydrophobicContact CB-CG2 3.64Å; V156-V181 HydrophobicContact CB-CG1 4.34Å; V156-V181 HydrophobicContact CG2-CG1 3.53Å; A177-V181 WeakPolarHBondContact O-CG2 3.33Å; A177-V181 PolarHBondContact O-N 3.01Å; A177-V181 VanDerWaalsContact O-N 3.07Å; V181-I183 HydrophobicContact CG1-CG1 4.47Å; V181-I183 WeakPolarHBondContact O-CG1 2.88Å; V181-I183 PolarHBondContact O-N 3.46Å
182P91Very high84.5Confident35 Ų3550.5 Ų50.523%0.22726%0.259CS..  trans-63.1123174.2-22.435.4000111L112 L117 G155 V156 Y180L112-P182 HydrophobicContact CD1-CB 3.73Å; L117-P182 HydrophobicContact CD1-CB 3.71Å; G155-P182 CarbonylContact C-O 3.4Å; G155-P182 VanDerWaalsContact CA-O 3.23Å; G155-P182 WeakPolarHBondContact CA-O 2.86Å; V156-P182 PolarHBondContact N-O 2.82Å; Y180-P182 WeakPolarHBondContact O-CD 2.98Å
183I94Very high85.6Confident2 Ų243.1 Ų43.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-117.5116.8-179.4-59.6149.3000110.1Y109 Y111 L112 L145 V156 I158 I166 V178 V181Y109-I183 HydrophobicContact CE1-CB 4.28Å; Y109-I183 HydrophobicContact CE1-CD1 4.07Å; Y111-I183 HydrophobicContact CD1-CB 4.45Å; Y111-I183 HydrophobicContact CD1-CG2 3.87Å; Y111-I183 HydrophobicContact CE1-CG2 4.09Å; L112-I183 PolarHBondContact N-O 3.1Å; L145-I183 HydrophobicContact CD1-CD1 4.09Å; L145-I183 HydrophobicContact CD2-CD1 3.88Å; L145-I183 HydrophobicContact CD2-CG1 4.01Å; V156-I183 HydrophobicContact CB-CG1 4.23Å; V156-I183 CarbonylContact O-C 3.57Å; V156-I183 VanDerWaalsContact O-CA 3.27Å; V156-I183 WeakPolarHBondContact O-CA 3.3Å; I158-I183 HydrophobicContact CD1-CG2 4.08Å; I158-I183 HydrophobicContact CG1-CG2 4.15Å; I158-I183 HydrophobicContact CG2-CG2 4.46Å; I166-I183 HydrophobicContact CD1-CD1 3.76Å; I166-I183 HydrophobicContact CG1-CD1 4.14Å; V178-I183 HydrophobicContact CG2-CD1 4.09Å; V181-I183 HydrophobicContact CG1-CG1 4.47Å; V181-I183 WeakPolarHBondContact O-CG1 2.88Å; V181-I183 PolarHBondContact O-N 3.46Å
184A95.3Very high86.8Confident0 Ų046.9 Ų46.90%024%0.239CC..EExtended strand (participates in β ladder)trans-95.3143.3173.300000111.9L112 L117 V156 I157 I158L112-A184 HydrophobicContact CB-CB 4.25Å; L112-A184 CarbonylContact O-C 3.51Å; L112-A184 WeakPolarHBondContact O-CA 3.32Å; L117-A184 HydrophobicContact CB-CB 3.97Å; L117-A184 HydrophobicContact CD2-CB 3.69Å; L117-A184 HydrophobicContact CG-CB 4.43Å; V156-A184 PolarHBondContact O-N 3.22Å; I157-A184 WeakPolarHBondContact CA-O 3.44Å; I157-A184 HydrophobicContact CG1-CB 4.36Å; I158-A184 PolarHBondContact N-O 3.23Å
185R93.9Very high88.1Confident75 Ų7549.7 Ų49.728%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-121.4116.7-180-163.3173.5-172-167.8-4.1112.3Y111 L112 I158 K160Y111-R185 HydrophobicContact CD1-CB 3.85Å; Y111-R185 HydrophobicContact CD1-CG 4.49Å; Y111-R185 HydrophobicContact CD2-CB 4.39Å; Y111-R185 HydrophobicContact CG-CB 3.7Å; Y111-R185 HydrophobicContact CG-CG 4.44Å; L112-R185 PolarHBondContact O-N 2.73Å; I158-R185 HydrophobicContact CG1-CB 4.34Å; I158-R185 HydrophobicContact CG1-CG 4.06Å; I158-R185 WeakPolarHBondContact O-CA 3.04Å; K160-R185 HydrophobicContact CG-CG 3.73Å; K160-R185 PolarHBondContact O-NH2 3.09Å
186V95.1Very high89.2Confident9 Ų945.9 Ų45.96%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-116.4149.1-169.7-58.40000113.1L114 I157 I158 P159 K160 L189 S192L114-V186 HydrophobicContact CB-CG1 3.97Å; I157-V186 HydrophobicContact CG2-CG1 3.97Å; I157-V186 HydrophobicContact CG2-CG2 3.79Å; I158-V186 PolarHBondContact O-N 3.14Å; P159-V186 CarbonylContact C-O 3.55Å; P159-V186 VanDerWaalsContact CA-O 3.29Å; P159-V186 WeakPolarHBondContact CA-O 3.21Å; K160-V186 PolarHBondContact N-O 2.62Å; V186-L189 HydrophobicContact CG2-CD2 3.63Å; V186-L189 HydrophobicContact CG2-CG 4.32Å; V186-S192 VanDerWaalsContact CB-OG 3.31Å; V186-S192 WeakPolarHBondContact CB-OG 3.29Å; V186-S192 WeakPolarHBondContact CG1-OG 3.31Å; V186-S192 WeakPolarHBondContact CG2-OG 3.31Å
187T93.2Very high90.6Very high96 Ų9647.8 Ų47.859%0.58923%0.23SC*.SBendtrans-74-37.5179.7-52.10000112.2
188N93.8Very high91.8Very high79 Ų7954.7 Ų54.742%0.42227%0.267SS..  trans-140.9109.8-175.7-177.1-38.4000110.3A190 Q191 S192N188-A190 VanDerWaalsContact C-N 3.34Å; N188-A190 PolarHBondContact O-N 3.37Å; N188-A190 WeakPolarHBondContact OD1-CB 3.49Å; N188-A190 PolarHBondContact OD1-N 3.33Å; N188-Q191 HydrophobicContact CB-CB 4.14Å; N188-Q191 PolarHBondContact O-N 3.31Å; N188-Q191 PolarHBondContact OD1-N 2.98Å; N188-Q191 VanDerWaalsContact OD1-N 3.1Å; N188-S192 PolarHBondContact O-N 2.84Å; N188-S192 PolarHBondContact O-OG 3.33Å
189L95.7Very high92.4Very high14 Ų1457.2 Ų57.27%0.07329%0.288CS..Hα-helixtrans-59.8-39.8-179.5-72.1174000113.1I131 D133 I157 P159 V186 Q191 S192 I193 L237I131-L189 HydrophobicContact CG2-CD2 3.73Å; D133-L189 HydrophobicContact CB-CD1 4.27Å; I157-L189 HydrophobicContact CG2-CD2 4.05Å; P159-L189 HydrophobicContact CB-CD1 4.17Å; P159-L189 HydrophobicContact CB-CG 4.13Å; P159-L189 HydrophobicContact CG-CD1 4Å; P159-L189 HydrophobicContact CG-CG 4.46Å; V186-L189 HydrophobicContact CG2-CD2 3.63Å; V186-L189 HydrophobicContact CG2-CG 4.32Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.19Å; L189-S192 WeakPolarHBondContact O-CB 3.39Å; L189-S192 PolarHBondContact O-N 2.55Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 2.76Å; L189-L237 HydrophobicContact CB-CD1 4.06Å; L189-L237 HydrophobicContact CB-CD2 3.69Å; L189-L237 HydrophobicContact CD1-CD1 3.87Å
190A95.2Very high93.1Very high25 Ų2552.8 Ų52.821%0.20728%0.279CS..Hα-helixtrans-65.7-36.2-17900000112N188 K194 L237N188-A190 VanDerWaalsContact C-N 3.34Å; N188-A190 PolarHBondContact O-N 3.37Å; N188-A190 WeakPolarHBondContact OD1-CB 3.49Å; N188-A190 PolarHBondContact OD1-N 3.33Å; A190-K194 PolarHBondContact O-N 3.09Å; A190-L237 HydrophobicContact CB-CD2 3.9Å
191Q95.3Very high93.7Very high116 Ų11645.2 Ų45.254%0.54225%0.25SC..Hα-helixtrans-69.9-40.8173.4-173.4178.66.400111.4N188 L189 I193 K194 Q195N188-Q191 HydrophobicContact CB-CB 4.14Å; N188-Q191 PolarHBondContact O-N 3.31Å; N188-Q191 PolarHBondContact OD1-N 2.98Å; N188-Q191 VanDerWaalsContact OD1-N 3.1Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 3.19Å; Q191-I193 VanDerWaalsContact C-N 3.34Å; Q191-I193 PolarHBondContact O-N 2.83Å; Q191-K194 WeakPolarHBondContact O-CB 3.35Å; Q191-K194 PolarHBondContact O-N 3.06Å; Q191-Q195 PolarHBondContact O-N 3.48Å
192S96.6Very high93.9Very high9 Ų951.3 Ų51.36%0.06327%0.272CS..Hα-helixtrans-61.4-41175.4-64.70000112.3V186 N188 L189 K194 Q195 L196V186-S192 VanDerWaalsContact CB-OG 3.31Å; V186-S192 WeakPolarHBondContact CB-OG 3.29Å; V186-S192 WeakPolarHBondContact CG1-OG 3.31Å; V186-S192 WeakPolarHBondContact CG2-OG 3.31Å; N188-S192 PolarHBondContact O-N 2.84Å; N188-S192 PolarHBondContact O-OG 3.33Å; L189-S192 WeakPolarHBondContact O-CB 3.39Å; L189-S192 PolarHBondContact O-N 2.55Å; S192-K194 VanDerWaalsContact C-N 3.28Å; S192-K194 PolarHBondContact O-N 3.39Å; S192-Q195 WeakPolarHBondContact O-CB 3.43Å; S192-Q195 PolarHBondContact O-N 2.85Å; S192-Q195 VanDerWaalsContact O-N 3.15Å; S192-L196 WeakPolarHBondContact O-CG 3.19Å; S192-L196 PolarHBondContact O-N 2.94Å
193I96.8Very high94Very high1 Ų149.7 Ų49.71%0.00526%0.261CS..Hα-helixtrans-57.8-41.6174.1-73.9172.1000111.2I131 L189 Q191 Q195 L196 K197 I203 I225 L237 E240I131-I193 HydrophobicContact CD1-CG1 4.01Å; L189-I193 WeakPolarHBondContact O-CG1 3.46Å; L189-I193 PolarHBondContact O-N 2.76Å; Q191-I193 VanDerWaalsContact C-N 3.34Å; Q191-I193 PolarHBondContact O-N 2.83Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 2.91Å; I193-L196 WeakPolarHBondContact O-CB 3.23Å; I193-L196 PolarHBondContact O-N 2.98Å; I193-K197 WeakPolarHBondContact O-CG 3.13Å; I193-K197 PolarHBondContact O-N 3.47Å; I193-I203 HydrophobicContact CD1-CG2 4.4Å; I193-I203 HydrophobicContact CG1-CG2 4.41Å; I193-I203 HydrophobicContact CG2-CB 4.44Å; I193-I203 HydrophobicContact CG2-CD1 4.45Å; I193-I203 HydrophobicContact CG2-CG1 3.98Å; I193-I203 HydrophobicContact CG2-CG2 3.98Å; I193-I225 HydrophobicContact CD1-CD1 3.65Å; I193-L237 HydrophobicContact CD1-CB 4.31Å; I193-L237 HydrophobicContact CD1-CD2 3.68Å; I193-L237 HydrophobicContact CD1-CG 4.39Å; I193-E240 HydrophobicContact CD1-CB 4.48Å; I193-E240 HydrophobicContact CG2-CB 3.78Å
194K95.8Very high93.7Very high101 Ų10149.7 Ų49.744%0.43926%0.262SS..Hα-helixtrans-62.1-42.9176.3-69176-176-179.70112A190 Q191 S192 L196 K197 D198 E240A190-K194 PolarHBondContact O-N 3.09Å; Q191-K194 WeakPolarHBondContact O-CB 3.35Å; Q191-K194 PolarHBondContact O-N 3.06Å; S192-K194 VanDerWaalsContact C-N 3.28Å; S192-K194 PolarHBondContact O-N 3.39Å; K194-L196 VanDerWaalsContact C-N 3.32Å; K194-L196 PolarHBondContact O-N 3.13Å; K194-K197 PolarHBondContact O-N 3.25Å; K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 3.46Å; K194-E240 WeakPolarHBondContact CE-OE1 3.29Å; K194-E240 WeakPolarHBondContact CE-OE2 3.49Å; K194-E240 IonicContact NZ-OE1 3.12Å; K194-E240 PolarHBondContact NZ-OE1 3.22Å; K194-E240 IonicContact NZ-OE2 2.91Å
195Q95.7Very high93.4Very high60 Ų6049.7 Ų49.728%0.2826%0.262SS..Hα-helixtrans-63.8-37.5175.5-63.7-179.32500112.3L114 Q191 S192 I193 D198 A199L114-Q195 HydrophobicContact CD2-CB 4.1Å; Q191-Q195 PolarHBondContact O-N 3.48Å; S192-Q195 WeakPolarHBondContact O-CB 3.43Å; S192-Q195 PolarHBondContact O-N 2.85Å; S192-Q195 VanDerWaalsContact O-N 3.15Å; I193-Q195 VanDerWaalsContact C-N 3.35Å; I193-Q195 PolarHBondContact O-N 2.91Å; Q195-D198 PolarHBondContact O-N 3.47Å; Q195-A199 WeakPolarHBondContact O-CB 3.44Å; Q195-A199 PolarHBondContact O-N 3.47Å
196L95.7Very high92.8Very high0 Ų047.5 Ų47.50%026%0.257CS..Hα-helixtrans-63.1-43.9173.9-70175.8000111.6L114 L118 L129 I131 I157 S192 I193 K194 A199 G200 Y201 I203 A223L114-L196 HydrophobicContact CD1-CD2 4.11Å; L118-L196 HydrophobicContact CD1-CD2 4.37Å; L118-L196 HydrophobicContact CD2-CD2 3.73Å; L118-L196 HydrophobicContact CG-CD2 4.38Å; L129-L196 HydrophobicContact CD1-CD2 3.85Å; I131-L196 HydrophobicContact CD1-CD1 3.74Å; I131-L196 HydrophobicContact CG1-CD1 4.48Å; I157-L196 HydrophobicContact CD1-CD1 3.81Å; I157-L196 HydrophobicContact CD1-CD2 4.35Å; S192-L196 WeakPolarHBondContact O-CG 3.19Å; S192-L196 PolarHBondContact O-N 2.94Å; I193-L196 WeakPolarHBondContact O-CB 3.23Å; I193-L196 PolarHBondContact O-N 2.98Å; K194-L196 VanDerWaalsContact C-N 3.32Å; K194-L196 PolarHBondContact O-N 3.13Å; L196-A199 CarbonylContact O-C 3.51Å; L196-A199 WeakPolarHBondContact O-CA 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.35Å; L196-A199 PolarHBondContact O-N 2.88Å; L196-A199 VanDerWaalsContact O-N 3.08Å; L196-G200 PolarHBondContact O-N 3.21Å; L196-G200 VanDerWaalsContact O-N 3.15Å; L196-Y201 HydrophobicContact CB-CD2 4.48Å; L196-Y201 HydrophobicContact CB-CG 4.42Å; L196-Y201 HydrophobicContact CD2-CD2 4.17Å; L196-Y201 HydrophobicContact CD2-CE2 4.39Å; L196-Y201 HydrophobicContact CD2-CG 4.36Å; L196-Y201 WeakPolarHBondContact O-CB 3.4Å; L196-Y201 WeakPolarHBondContact O-CD2 3.27Å; L196-Y201 PolarHBondContact O-N 3.25Å; L196-I203 HydrophobicContact CB-CD1 3.84Å; L196-I203 HydrophobicContact CD1-CD1 4.17Å; L196-A223 HydrophobicContact CD1-CB 4.09Å
197K94.3Very high92.2Very high64 Ų6449.7 Ų49.728%0.27827%0.268SS..Hα-helixtrans-61.9-42.9175-70.8-167.9177.3-160.50112.3I193 K194 A199 G200 I203 E240 D242I193-K197 WeakPolarHBondContact O-CG 3.13Å; I193-K197 PolarHBondContact O-N 3.47Å; K194-K197 PolarHBondContact O-N 3.25Å; K197-A199 PolarHBondContact O-N 3.46Å; K197-G200 PolarHBondContact O-N 2.78Å; K197-I203 HydrophobicContact CD-CG1 4.29Å; K197-I203 HydrophobicContact CG-CD1 4.39Å; K197-I203 HydrophobicContact CG-CG1 3.68Å; K197-E240 WeakPolarHBondContact CE-O 3.29Å; K197-E240 PolarHBondContact NZ-O 2.77Å; K197-D242 WeakPolarHBondContact CE-OD1 3.41Å; K197-D242 WeakPolarHBondContact CE-OD2 3.45Å; K197-D242 IonicContact NZ-OD1 2.71Å; K197-D242 PolarHBondContact NZ-OD1 2.82Å; K197-D242 IonicContact NZ-OD2 3.85Å
198D94.1Very high91.4Very high146 Ų14650.3 Ų50.378%0.78127%0.265SS*.Hα-helixtrans-61.6-28.5174.5-68.2-21.2000111.8K194 Q195 G200K194-D198 VanDerWaalsContact O-CG 3.3Å; K194-D198 PolarHBondContact O-N 3.46Å; Q195-D198 PolarHBondContact O-N 3.47Å; D198-G200 VanDerWaalsContact C-N 3.32Å
199A92.1Very high90.7Very high54 Ų5454.1 Ų54.145%0.44628%0.281SS..THydrogen-bonded Turntrans-84.92.4173.200000114.2L118 Q195 L196 K197 Y201L118-A199 HydrophobicContact CD1-CB 4.5Å; L118-A199 HydrophobicContact CD2-CB 4.46Å; Q195-A199 WeakPolarHBondContact O-CB 3.44Å; Q195-A199 PolarHBondContact O-N 3.47Å; L196-A199 CarbonylContact O-C 3.51Å; L196-A199 WeakPolarHBondContact O-CA 3.31Å; L196-A199 WeakPolarHBondContact O-CB 3.35Å; L196-A199 PolarHBondContact O-N 2.88Å; L196-A199 VanDerWaalsContact O-N 3.08Å; K197-A199 PolarHBondContact O-N 3.46Å; A199-Y201 HydrophobicContact CB-CD2 4.11Å; A199-Y201 HydrophobicContact CB-CE2 4.29Å
200G89.9Confident90.1Very high44 Ų4455.4 Ų55.445%0.45430%0.297SS..THydrogen-bonded Turntrans89.413.8175.100000115.8L196 K197 D198L196-G200 PolarHBondContact O-N 3.21Å; L196-G200 VanDerWaalsContact O-N 3.15Å; K197-G200 PolarHBondContact O-N 2.78Å; D198-G200 VanDerWaalsContact C-N 3.32Å
201Y91Very high89.2Confident15 Ų1556.5 Ų56.56%0.05930%0.301CS..  trans-80.7135.4174.9-72.3-104.5000111.9L118 P127 L129 L196 A199 P221 A223L118-Y201 HydrophobicContact CD2-CD2 4.33Å; L118-Y201 HydrophobicContact CD2-CE2 3.48Å; L118-Y201 VanDerWaalsContact CD2-CE2 3.48Å; P127-Y201 HydrophobicContact CB-CE1 4.26Å; P127-Y201 HydrophobicContact CG-CE1 3.82Å; P127-Y201 WeakPolarHBondContact CG-OH 3.49Å; L129-Y201 HydrophobicContact CD1-CD1 4.12Å; L129-Y201 HydrophobicContact CD1-CE1 3.5Å; L129-Y201 HydrophobicContact CG-CD1 4.48Å; L129-Y201 HydrophobicContact CG-CE1 3.77Å; L196-Y201 HydrophobicContact CB-CD2 4.48Å; L196-Y201 HydrophobicContact CB-CG 4.42Å; L196-Y201 HydrophobicContact CD2-CD2 4.17Å; L196-Y201 HydrophobicContact CD2-CE2 4.39Å; L196-Y201 HydrophobicContact CD2-CG 4.36Å; L196-Y201 WeakPolarHBondContact O-CB 3.4Å; L196-Y201 WeakPolarHBondContact O-CD2 3.27Å; L196-Y201 PolarHBondContact O-N 3.25Å; A199-Y201 HydrophobicContact CB-CD2 4.11Å; A199-Y201 HydrophobicContact CB-CE2 4.29Å; Y201-P221 WeakPolarHBondContact CA-O 3.26Å; Y201-P221 HydrophobicContact CD1-CB 3.58Å; Y201-P221 HydrophobicContact CD2-CB 4.04Å; Y201-P221 HydrophobicContact CE1-CB 3.71Å; Y201-P221 HydrophobicContact CE2-CB 4.15Å; Y201-P221 HydrophobicContact CG-CB 3.76Å; Y201-A223 HydrophobicContact CD1-CB 4.43Å
202W87Confident88.1Confident133 Ų13352.1 Ų52.150%0.50428%0.282SS..EExtended strand (participates in β ladder)trans-81.4134.4163.2-68.9101.8000110.5F204 V218 P221 I222 A223 D242W202-F204 HydrophobicContact CB-CD2 4.38Å; W202-F204 HydrophobicContact CB-CE2 3.32Å; W202-F204 HydrophobicContact CB-CZ 3.61Å; W202-F204 HydrophobicContact CG-CE2 4.42Å; W202-F204 HydrophobicContact CG-CZ 4.35Å; W202-V218 HydrophobicContact CB-CG1 4.24Å; W202-V218 HydrophobicContact CG-CG1 4.07Å; W202-P221 PolarHBondContact N-O 3.18Å; W202-I222 CarbonylContact O-C 3.59Å; W202-I222 WeakPolarHBondContact O-CA 3.46Å; W202-A223 PolarHBondContact O-N 3.07Å; W202-D242 HydrophobicContact CE3-CB 3.84Å; W202-D242 HydrophobicContact CZ3-CB 4.21Å
203I93.2Very high86.7Confident0 Ų053.5 Ų53.50%029%0.286CS..EExtended strand (participates in β ladder)trans-112.7117.9-171.1-48.2-62.8000109.5I193 L196 K197 A223 I225 V241 D242I193-I203 HydrophobicContact CD1-CG2 4.4Å; I193-I203 HydrophobicContact CG1-CG2 4.41Å; I193-I203 HydrophobicContact CG2-CB 4.44Å; I193-I203 HydrophobicContact CG2-CD1 4.45Å; I193-I203 HydrophobicContact CG2-CG1 3.98Å; I193-I203 HydrophobicContact CG2-CG2 3.98Å; L196-I203 HydrophobicContact CB-CD1 3.84Å; L196-I203 HydrophobicContact CD1-CD1 4.17Å; K197-I203 HydrophobicContact CD-CG1 4.29Å; K197-I203 HydrophobicContact CG-CD1 4.39Å; K197-I203 HydrophobicContact CG-CG1 3.68Å; I203-A223 WeakPolarHBondContact CA-O 3.23Å; I203-A223 HydrophobicContact CD1-CB 3.77Å; I203-I225 HydrophobicContact CG2-CD1 3.93Å; I203-I225 HydrophobicContact CG2-CG1 4.27Å; I203-V241 HydrophobicContact CG2-CG1 4.38Å; I203-D242 PolarHBondContact N-OD2 2.81Å; I203-D242 PolarHBondContact O-N 3.45Å
204F88.6Confident85Confident3 Ų357.9 Ų57.91%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-114.5136.5-179.4-59.2-85.8000110.7W202 W216 V218 I222 A223 L224 I225 E243 L245W202-F204 HydrophobicContact CB-CD2 4.38Å; W202-F204 HydrophobicContact CB-CE2 3.32Å; W202-F204 HydrophobicContact CB-CZ 3.61Å; W202-F204 HydrophobicContact CG-CE2 4.42Å; W202-F204 HydrophobicContact CG-CZ 4.35Å; F204-W216 HydrophobicContact CB-CZ2 4.43Å; F204-W216 AromaticContact CD1-CE2 3.84Å; F204-W216 AromaticContact CD1-CZ2 3.92Å; F204-W216 HydrophobicContact CD1-CZ2 3.92Å; F204-W216 AromaticContact CD1-NE1 3.37Å; F204-W216 HydrophobicContact CD2-CH2 4.28Å; F204-W216 AromaticContact CD2-CZ2 3.41Å; F204-W216 HydrophobicContact CD2-CZ2 3.41Å; F204-W216 VanDerWaalsContact CD2-CZ2 3.41Å; F204-W216 AromaticContact CE1-CE2 3.87Å; F204-W216 HydrophobicContact CE1-CZ2 4.08Å; F204-W216 AromaticContact CE1-NE1 3.11Å; F204-W216 AromaticContact CE2-CZ2 3.54Å; F204-W216 HydrophobicContact CE2-CZ2 3.54Å; F204-W216 AromaticContact CG-CZ2 3.61Å; F204-W216 HydrophobicContact CG-CZ2 3.61Å; F204-W216 AromaticContact CZ-CZ2 3.92Å; F204-W216 HydrophobicContact CZ-CZ2 3.92Å; F204-W216 AromaticContact CZ-NE1 3.54Å; F204-V218 HydrophobicContact CE1-CG2 3.97Å; F204-V218 HydrophobicContact CE2-CG1 4.08Å; F204-V218 HydrophobicContact CE2-CG2 4.38Å; F204-V218 HydrophobicContact CZ-CB 4.09Å; F204-V218 HydrophobicContact CZ-CG1 3.84Å; F204-V218 HydrophobicContact CZ-CG2 3.54Å; F204-I222 HydrophobicContact CD2-CG2 3.74Å; F204-I222 HydrophobicContact CE2-CG1 4.21Å; F204-I222 HydrophobicContact CE2-CG2 3.94Å; F204-A223 PolarHBondContact N-O 3.01Å; F204-L224 HydrophobicContact CB-CD1 3.83Å; F204-L224 CarbonylContact O-C 3.48Å; F204-L224 WeakPolarHBondContact O-CA 3.38Å; F204-I225 WeakPolarHBondContact O-CG1 3.28Å; F204-I225 PolarHBondContact O-N 2.64Å; F204-E243 VanDerWaalsContact CA-O 3.31Å; F204-E243 WeakPolarHBondContact CA-O 3.28Å; F204-E243 HydrophobicContact CD1-CB 3.8Å; F204-E243 HydrophobicContact CE1-CB 3.81Å; F204-L245 HydrophobicContact CB-CD1 3.96Å; F204-L245 HydrophobicContact CB-CG 4.19Å; F204-L245 HydrophobicContact CD1-CD1 4.34Å; F204-L245 HydrophobicContact CD1-CD2 4.31Å; F204-L245 HydrophobicContact CD1-CG 4.27Å; F204-L245 HydrophobicContact CG-CD1 4.26Å
205G87.5Confident83.5Confident0 Ų059.3 Ų59.30%031%0.311CS..EExtended strand (participates in β ladder)trans-100.1154.6170.200000111.6E243 M244 L245G205-E243 PolarHBondContact N-O 3.25Å; G205-M244 CarbonylContact O-C 3.51Å; G205-M244 WeakPolarHBondContact O-CA 3.41Å; G205-L245 PolarHBondContact O-N 3.08Å
206T81.6Confident81.9Confident29 Ų2958.6 Ų58.618%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-100.8135.1168.8500000110.9L224 I225 I226 V233 L245 L265T206-L224 HydrophobicContact CG2-CD1 3.88Å; T206-L224 HydrophobicContact CG2-CG 4.37Å; T206-I225 PolarHBondContact N-O 3.32Å; T206-I225 PolarHBondContact OG1-O 3.33Å; T206-I226 HydrophobicContact CG2-CD1 3.88Å; T206-V233 WeakPolarHBondContact O-CG2 3.27Å; T206-L245 WeakPolarHBondContact CA-O 3.39Å; T206-L265 HydrophobicContact CG2-CD1 4.17Å
207D82.6Confident80.1Confident55 Ų5564.2 Ų64.229%0.29433%0.33SS..EExtended strand (participates in β ladder)trans-156.4169.3176.5-153.2-19.9000111.6E209 K238 M244 L245 T246D207-E209 WeakPolarHBondContact CB-O 3.23Å; D207-E209 PolarHBondContact O-N 2.96Å; D207-K238 IonicContact OD1-NZ 3.73Å; D207-K238 VanDerWaalsContact OD2-CE 3.32Å; D207-K238 WeakPolarHBondContact OD2-CE 3.45Å; D207-K238 IonicContact OD2-NZ 2.71Å; D207-K238 PolarHBondContact OD2-NZ 3.38Å; D207-M244 HydrophobicContact CB-CE 3.49Å; D207-M244 VanDerWaalsContact CB-CE 3.49Å; D207-L245 PolarHBondContact N-O 2.82Å; D207-T246 VanDerWaalsContact O-CA 3.31Å; D207-T246 WeakPolarHBondContact O-CA 3.45Å; D207-T246 VanDerWaalsContact O-CB 3.31Å; D207-T246 WeakPolarHBondContact O-CB 2.98Å; D207-T246 PolarHBondContact O-OG1 2.93Å; D207-T246 VanDerWaalsContact O-OG1 3.06Å
208M76.1Confident78.6Confident108 Ų10863.3 Ų63.353%0.53233%0.329SS..EExtended strand (participates in β ladder)trans-69.2-25171.1-64.8-56.7-69.100112.1T246 M249 Q254M208-T246 PolarHBondContact O-OG1 3.45Å; M208-T246 VanDerWaalsContact O-OG1 3.09Å; M208-M249 HydrophobicContact CE-CG 4.15Å; M208-Q254 WeakPolarHBondContact CE-O 3.44Å
209E80.3Confident77.2Confident159 Ų15963.4 Ų63.474%0.74333%0.325SS*.EExtended strand (participates in β ladder)trans-111.9124.1175-64.7-177.2177.300110.1D207D207-E209 WeakPolarHBondContact CB-O 3.23Å; D207-E209 PolarHBondContact O-N 2.96Å
210G83Confident76.3Confident41 Ų4162 Ų6242%0.42332%0.316SS..EExtended strand (participates in β ladder)trans170.7-175.7179.700000111.7D212 M244 T246G210-D212 PolarHBondContact O-N 2.78Å; G210-M244 CarbonylContact C-O 3.47Å; G210-M244 VanDerWaalsContact CA-O 3.23Å; G210-M244 WeakPolarHBondContact CA-O 3.47Å; G210-T246 VanDerWaalsContact O-CG2 3.29Å; G210-T246 WeakPolarHBondContact O-CG2 3.3Å
211T75.1Confident76Confident48 Ų4861.6 Ų61.629%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-68.3130.2170.3-61.40000108.8Y213 E243 M244 L245 T246T211-Y213 PolarHBondContact O-N 2.99Å; T211-E243 WeakPolarHBondContact CB-OE1 3.48Å; T211-E243 PolarHBondContact OG1-OE1 3.32Å; T211-M244 PolarHBondContact N-O 3.4Å; T211-L245 CarbonylContact O-C 3.53Å; T211-L245 VanDerWaalsContact O-CA 3.31Å; T211-L245 WeakPolarHBondContact O-CA 3.3Å; T211-T246 PolarHBondContact O-N 2.87Å
212D74.2Confident75.9Confident25 Ų2561.9 Ų61.913%0.13431%0.308CS..EExtended strand (participates in β ladder)trans-54.9122.9173.6-174.2-26.8000109.4G210 R214 Q215 W216 P248G210-D212 PolarHBondContact O-N 2.78Å; D212-R214 PolarHBondContact O-N 2.98Å; D212-R214 WeakPolarHBondContact OD1-CB 3.27Å; D212-R214 VanDerWaalsContact OD1-CG 3.32Å; D212-R214 WeakPolarHBondContact OD1-CG 3.34Å; D212-R214 IonicContact OD1-CZ 2.95Å; D212-R214 PolarHBondContact OD1-N 3.26Å; D212-R214 IonicContact OD1-NE 3.56Å; D212-R214 PolarHBondContact OD1-NE 3.34Å; D212-R214 IonicContact OD1-NH2 2.57Å; D212-R214 IonicContact OD2-CZ 2.69Å; D212-R214 IonicContact OD2-NE 3.54Å; D212-R214 PolarHBondContact OD2-NE 2.8Å; D212-R214 IonicContact OD2-NH2 3.75Å; D212-R214 PolarHBondContact OD2-NH2 3.13Å; D212-Q215 HydrophobicContact CB-CG 4.31Å; D212-Q215 PolarHBondContact O-N 3.39Å; D212-W216 PolarHBondContact O-N 2.98Å; D212-P248 HydrophobicContact CB-CG 4.36Å; D212-P248 WeakPolarHBondContact OD1-CG 3.44Å; D212-P248 WeakPolarHBondContact OD2-CG 3.19Å
213Y67Low76Confident37 Ų3755.5 Ų55.515%0.14528%0.284CS..G310 helixtrans-55.8-25.6-17782.3-84.9000113.4T211 Q215 W216 T246 I247 L264 L265T211-Y213 PolarHBondContact O-N 2.99Å; Y213-Q215 PolarHBondContact O-N 3.16Å; Y213-W216 VanDerWaalsContact O-CB 3.27Å; Y213-W216 WeakPolarHBondContact O-CB 3.46Å; Y213-W216 PolarHBondContact O-N 3.46Å; Y213-T246 PolarHBondContact N-O 2.81Å; Y213-I247 HydrophobicContact CD1-CB 4.35Å; Y213-I247 HydrophobicContact CD1-CG1 4.12Å; Y213-I247 HydrophobicContact CD1-CG2 4.33Å; Y213-I247 HydrophobicContact CE1-CB 4.5Å; Y213-I247 HydrophobicContact CE1-CG1 4.49Å; Y213-I247 HydrophobicContact CE1-CG2 3.98Å; Y213-L264 WeakPolarHBondContact CE2-O 3.34Å; Y213-L265 HydrophobicContact CD1-CD2 4.1Å; Y213-L265 HydrophobicContact CD2-CD2 3.56Å; Y213-L265 HydrophobicContact CE2-CD2 4.41Å; Y213-L265 HydrophobicContact CG-CD2 3.34Å
214R60Low75.9Confident93 Ų9355.6 Ų55.635%0.35128%0.284SS..G310 helixtrans-69-21.1177.6-58.9174-67.5175.62.4112.7D212 Q310 G311D212-R214 PolarHBondContact O-N 2.98Å; D212-R214 WeakPolarHBondContact OD1-CB 3.27Å; D212-R214 VanDerWaalsContact OD1-CG 3.32Å; D212-R214 WeakPolarHBondContact OD1-CG 3.34Å; D212-R214 IonicContact OD1-CZ 2.95Å; D212-R214 PolarHBondContact OD1-N 3.26Å; D212-R214 IonicContact OD1-NE 3.56Å; D212-R214 PolarHBondContact OD1-NE 3.34Å; D212-R214 IonicContact OD1-NH2 2.57Å; D212-R214 IonicContact OD2-CZ 2.69Å; D212-R214 IonicContact OD2-NE 3.54Å; D212-R214 PolarHBondContact OD2-NE 2.8Å; D212-R214 IonicContact OD2-NH2 3.75Å; D212-R214 PolarHBondContact OD2-NH2 3.13Å; R214-Q310 CarbonylContact O-C 3.56Å; R214-G311 WeakPolarHBondContact O-CA 3.22Å; R214-G311 PolarHBondContact O-N 2.87Å
215Q64.7Low76.1Confident131 Ų13155.5 Ų55.561%0.61228%0.284SS*.G310 helixtrans-99.5-8.8177.9-59.2-176.7700112.3D212 Y213 K217D212-Q215 HydrophobicContact CB-CG 4.31Å; D212-Q215 PolarHBondContact O-N 3.39Å; Y213-Q215 PolarHBondContact O-N 3.16Å; Q215-K217 PolarHBondContact O-N 3.08Å
216W61.8Low76.1Confident46 Ų4655.7 Ų55.717%0.17429%0.285CS..  trans-68125.3-177.2-177.749.7000110.7F204 D212 Y213 V218 I222 L245F204-W216 HydrophobicContact CB-CZ2 4.43Å; F204-W216 AromaticContact CD1-CE2 3.84Å; F204-W216 AromaticContact CD1-CZ2 3.92Å; F204-W216 HydrophobicContact CD1-CZ2 3.92Å; F204-W216 AromaticContact CD1-NE1 3.37Å; F204-W216 HydrophobicContact CD2-CH2 4.28Å; F204-W216 AromaticContact CD2-CZ2 3.41Å; F204-W216 HydrophobicContact CD2-CZ2 3.41Å; F204-W216 VanDerWaalsContact CD2-CZ2 3.41Å; F204-W216 AromaticContact CE1-CE2 3.87Å; F204-W216 HydrophobicContact CE1-CZ2 4.08Å; F204-W216 AromaticContact CE1-NE1 3.11Å; F204-W216 AromaticContact CE2-CZ2 3.54Å; F204-W216 HydrophobicContact CE2-CZ2 3.54Å; F204-W216 AromaticContact CG-CZ2 3.61Å; F204-W216 HydrophobicContact CG-CZ2 3.61Å; F204-W216 AromaticContact CZ-CZ2 3.92Å; F204-W216 HydrophobicContact CZ-CZ2 3.92Å; F204-W216 AromaticContact CZ-NE1 3.54Å; D212-W216 PolarHBondContact O-N 2.98Å; Y213-W216 VanDerWaalsContact O-CB 3.27Å; Y213-W216 WeakPolarHBondContact O-CB 3.46Å; Y213-W216 PolarHBondContact O-N 3.46Å; W216-V218 HydrophobicContact CZ2-CB 4.34Å; W216-V218 HydrophobicContact CZ2-CG2 4.45Å; W216-I222 HydrophobicContact CH2-CD1 4.13Å; W216-I222 HydrophobicContact CH2-CG2 3.91Å; W216-I222 HydrophobicContact CZ2-CD1 4.07Å; W216-I222 HydrophobicContact CZ2-CG2 4.06Å; W216-L245 HydrophobicContact CB-CD2 3.99Å; W216-L245 VanDerWaalsContact CD1-CD2 3.49Å; W216-L245 HydrophobicContact CD2-CD1 3.49Å; W216-L245 VanDerWaalsContact CD2-CD1 3.49Å; W216-L245 HydrophobicContact CD2-CD2 3.96Å; W216-L245 HydrophobicContact CD2-CG 4.38Å; W216-L245 HydrophobicContact CE3-CD1 3.62Å; W216-L245 HydrophobicContact CG-CD1 4.04Å; W216-L245 HydrophobicContact CG-CD2 3.56Å; W216-L245 HydrophobicContact CG-CG 4.46Å; W216-L245 HydrophobicContact CH2-CD1 4.01Å; W216-L245 HydrophobicContact CZ2-CD1 3.92Å; W216-L245 HydrophobicContact CZ3-CD1 3.87Å
217K57.9Low76.3Confident117 Ų11754.7 Ų54.751%0.50928%0.28SS..  trans-135.9103-178.3-72.4173.7-174.71510108.9Q215 K308Q215-K217 PolarHBondContact O-N 3.08Å; K217-K308 HydrophobicContact CD-CG 4.39Å; K217-K308 VanDerWaalsContact CE-CG 3.48Å; K217-K308 WeakPolarHBondContact CE-O 3.37Å; K217-K308 PolarHBondContact NZ-O 3.22Å
218V61.9Low76.6Confident45 Ų4552.9 Ų52.927%0.27327%0.271SS..  trans-137136.3178.6176.90000108.4W202 F204 W216 I222W202-V218 HydrophobicContact CB-CG1 4.24Å; W202-V218 HydrophobicContact CG-CG1 4.07Å; F204-V218 HydrophobicContact CE1-CG2 3.97Å; F204-V218 HydrophobicContact CE2-CG1 4.08Å; F204-V218 HydrophobicContact CE2-CG2 4.38Å; F204-V218 HydrophobicContact CZ-CB 4.09Å; F204-V218 HydrophobicContact CZ-CG1 3.84Å; F204-V218 HydrophobicContact CZ-CG2 3.54Å; W216-V218 HydrophobicContact CZ2-CB 4.34Å; W216-V218 HydrophobicContact CZ2-CG2 4.45Å; V218-I222 HydrophobicContact CB-CD1 4.03Å; V218-I222 HydrophobicContact CG1-CD1 3.81Å; V218-I222 HydrophobicContact CG1-CG1 3.92Å
219E64.7Low76.7Confident148 Ų14851 Ų5169%0.69226%0.261SS*.  trans-113.2147.5175.4-65.8-179.2-177.900108.8Q334E219-Q334 PolarHBondContact OE1-NE2 2.77Å; E219-Q334 VanDerWaalsContact OE1-NE2 3.14Å
220G73.6Confident76.7Confident25 Ų2547 Ų4726%0.25826%0.261SS..SBendtrans100.3-165.5177.400000114.1I222G220-I222 PolarHBondContact O-N 3.02Å
221P84.8Confident76.7Confident36 Ų3653.2 Ų53.223%0.23428%0.277CS..  trans-64.5128.6-179.2-20.332.5000111.8P127 Y201 W202P127-P221 HydrophobicContact CG-CB 3.95Å; P127-P221 HydrophobicContact CG-CG 4.35Å; P127-P221 WeakPolarHBondContact O-CA 3.45Å; Y201-P221 WeakPolarHBondContact CA-O 3.26Å; Y201-P221 HydrophobicContact CD1-CB 3.58Å; Y201-P221 HydrophobicContact CD2-CB 4.04Å; Y201-P221 HydrophobicContact CE1-CB 3.71Å; Y201-P221 HydrophobicContact CE2-CB 4.15Å; Y201-P221 HydrophobicContact CG-CB 3.76Å; W202-P221 PolarHBondContact N-O 3.18Å
222I87.2Confident77.3Confident20 Ų2052.3 Ų52.310%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-128.2139.5-175.3-68.6171000109.7P127 F128 L129 W202 F204 W216 V218 G220P127-I222 PolarHBondContact O-N 3.31Å; F128-I222 WeakPolarHBondContact CA-O 3.45Å; F128-I222 HydrophobicContact CD2-CB 3.94Å; F128-I222 HydrophobicContact CD2-CG2 3.69Å; F128-I222 HydrophobicContact CE2-CB 4.46Å; F128-I222 HydrophobicContact CE2-CG2 3.71Å; L129-I222 PolarHBondContact N-O 3.07Å; W202-I222 CarbonylContact O-C 3.59Å; W202-I222 WeakPolarHBondContact O-CA 3.46Å; F204-I222 HydrophobicContact CD2-CG2 3.74Å; F204-I222 HydrophobicContact CE2-CG1 4.21Å; F204-I222 HydrophobicContact CE2-CG2 3.94Å; W216-I222 HydrophobicContact CH2-CD1 4.13Å; W216-I222 HydrophobicContact CH2-CG2 3.91Å; W216-I222 HydrophobicContact CZ2-CD1 4.07Å; W216-I222 HydrophobicContact CZ2-CG2 4.06Å; V218-I222 HydrophobicContact CB-CD1 4.03Å; V218-I222 HydrophobicContact CG1-CD1 3.81Å; V218-I222 HydrophobicContact CG1-CG1 3.92Å; G220-I222 PolarHBondContact O-N 3.02Å
223A90.8Very high78Confident0 Ų051.3 Ų51.30%027%0.272CS..EExtended strand (participates in β ladder)trans-124.4123.9164.700000110.7L129 I131 L196 Y201 W202 I203 F204L129-A223 HydrophobicContact CB-CB 4.04Å; L129-A223 CarbonylContact O-C 3.52Å; L129-A223 VanDerWaalsContact O-CA 3.28Å; L129-A223 WeakPolarHBondContact O-CA 3.32Å; I131-A223 HydrophobicContact CD1-CB 3.86Å; I131-A223 HydrophobicContact CG1-CB 4.34Å; L196-A223 HydrophobicContact CD1-CB 4.09Å; Y201-A223 HydrophobicContact CD1-CB 4.43Å; W202-A223 PolarHBondContact O-N 3.07Å; I203-A223 WeakPolarHBondContact CA-O 3.23Å; I203-A223 HydrophobicContact CD1-CB 3.77Å; F204-A223 PolarHBondContact N-O 3.01Å
224L90.5Very high79.2Confident2 Ų251.9 Ų51.91%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-106.4126.7-179.8179.370.3000111F128 L129 L130 I131 F204 T206 I226 L245 L265F128-L224 HydrophobicContact CE2-CB 3.77Å; F128-L224 HydrophobicContact CZ-CB 4.01Å; F128-L224 HydrophobicContact CZ-CD2 4.08Å; L129-L224 PolarHBondContact O-N 3.04Å; L130-L224 CarbonylContact C-O 3.51Å; L130-L224 WeakPolarHBondContact CA-O 3.49Å; L130-L224 HydrophobicContact CD2-CB 4.08Å; L130-L224 HydrophobicContact CD2-CD2 4.18Å; I131-L224 PolarHBondContact N-O 3.25Å; F204-L224 HydrophobicContact CB-CD1 3.83Å; F204-L224 CarbonylContact O-C 3.48Å; F204-L224 WeakPolarHBondContact O-CA 3.38Å; T206-L224 HydrophobicContact CG2-CD1 3.88Å; T206-L224 HydrophobicContact CG2-CG 4.37Å; L224-I226 HydrophobicContact CD2-CD1 3.96Å; L224-I226 HydrophobicContact CG-CD1 4.12Å; L224-L245 HydrophobicContact CD1-CD1 4.07Å; L224-L265 HydrophobicContact CD2-CD1 3.63Å
225I92.5Very high80.7Confident0 Ų051 Ų510%029%0.294CS..EExtended strand (participates in β ladder)trans-91.5122178.2-47.8175.8000110.1I131 D133 I193 I203 F204 T206 V233 L237 V241I131-I225 HydrophobicContact CB-CB 4.44Å; I131-I225 HydrophobicContact CB-CG1 4.05Å; I131-I225 HydrophobicContact CB-CG2 4.46Å; I131-I225 HydrophobicContact CD1-CG1 4.05Å; I131-I225 HydrophobicContact CG2-CG1 4.37Å; I131-I225 HydrophobicContact CG2-CG2 4.36Å; I131-I225 CarbonylContact O-C 3.59Å; I131-I225 VanDerWaalsContact O-CA 3.29Å; I131-I225 WeakPolarHBondContact O-CA 3.28Å; D133-I225 HydrophobicContact CB-CG2 4.17Å; I193-I225 HydrophobicContact CD1-CD1 3.65Å; I203-I225 HydrophobicContact CG2-CD1 3.93Å; I203-I225 HydrophobicContact CG2-CG1 4.27Å; F204-I225 WeakPolarHBondContact O-CG1 3.28Å; F204-I225 PolarHBondContact O-N 2.64Å; T206-I225 PolarHBondContact N-O 3.32Å; T206-I225 PolarHBondContact OG1-O 3.33Å; I225-V233 HydrophobicContact CB-CG2 4.38Å; I225-V233 HydrophobicContact CG2-CG1 3.99Å; I225-V233 HydrophobicContact CG2-CG2 3.92Å; I225-L237 HydrophobicContact CD1-CB 4.29Å; I225-L237 HydrophobicContact CG2-CD1 4.41Å; I225-V241 HydrophobicContact CD1-CG1 3.7Å
226I86.8Confident82Confident5 Ų546.9 Ų46.93%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-103121.6170.1-53.2-57000108.4I131 L132 D133 I144 T206 L224 A258I131-I226 PolarHBondContact O-N 3.44Å; L132-I226 HydrophobicContact CD2-CB 3.93Å; L132-I226 HydrophobicContact CD2-CG1 4.15Å; D133-I226 PolarHBondContact N-O 2.97Å; I144-I226 HydrophobicContact CD1-CG2 4.43Å; T206-I226 HydrophobicContact CG2-CD1 3.88Å; L224-I226 HydrophobicContact CD2-CD1 3.96Å; L224-I226 HydrophobicContact CG-CD1 4.12Å; I226-A258 HydrophobicContact CG2-CB 3.82Å
227G87.6Confident83.5Confident8 Ų845 Ų458%0.08228%0.28CS..PPolyproline II helixtrans-78.5168.9-17800000114.4G232G227-G232 VanDerWaalsContact CA-C 3.47Å
228N88.7Confident85.2Confident17 Ų1743 Ų439%0.09127%0.272CS..BIsolated β-bridgetrans-59.7144.3168.6173.3-88.9000110.6D133 S134 G230 K231 G232D133-N228 PolarHBondContact O-N 2.58Å; D133-N228 VanDerWaalsContact O-N 3.11Å; S134-N228 PolarHBondContact O-ND2 3.43Å; N228-G230 PolarHBondContact O-N 2.81Å; N228-G230 VanDerWaalsContact O-N 3.14Å; N228-G230 PolarHBondContact OD1-N 3.19Å; N228-K231 HydrophobicContact CB-CB 4.35Å; N228-K231 PolarHBondContact O-N 3.14Å; N228-K231 PolarHBondContact OD1-N 3.02Å; N228-G232 PolarHBondContact N-O 3.17Å; N228-G232 VanDerWaalsContact N-O 3.16Å; N228-G232 VanDerWaalsContact O-CA 3.28Å; N228-G232 WeakPolarHBondContact O-CA 3.36Å; N228-G232 PolarHBondContact O-N 2.94Å
229E77.3Confident86.6Confident69 Ų6949.4 Ų49.432%0.32230%0.295SS..THydrogen-bonded Turntrans-64.3-23.2-172.1-56.994.9146.500113.9L135 N140L135-E229 HydrophobicContact CD2-CG 4.33Å; N140-E229 VanDerWaalsContact CB-OE1 3.29Å; N140-E229 WeakPolarHBondContact CB-OE1 3.33Å; N140-E229 WeakPolarHBondContact ND2-CG 3.45Å; N140-E229 PolarHBondContact ND2-OE1 3.27Å
230G80.1Confident87.9Confident73 Ų7344.4 Ų44.475%0.75327%0.272SS*.THydrogen-bonded Turntrans-104-36.5176.200000114.3N228N228-G230 PolarHBondContact O-N 2.81Å; N228-G230 VanDerWaalsContact O-N 3.14Å; N228-G230 PolarHBondContact OD1-N 3.19Å
231K84.2Confident88.8Confident172 Ų17244.2 Ų44.275%0.74827%0.266SS*.THydrogen-bonded Turntrans-100.5-13.8-173.2-64174.1-172.6156.70114.1N228N228-K231 HydrophobicContact CB-CB 4.35Å; N228-K231 PolarHBondContact O-N 3.14Å; N228-K231 PolarHBondContact OD1-N 3.02Å
232G86.9Confident89Confident30 Ų3045.8 Ų45.831%0.30927%0.272SS..BIsolated β-bridgetrans66-159.1-169.100000112.2G227 N228G227-G232 VanDerWaalsContact CA-C 3.47Å; N228-G232 PolarHBondContact N-O 3.17Å; N228-G232 VanDerWaalsContact N-O 3.16Å; N228-G232 VanDerWaalsContact O-CA 3.28Å; N228-G232 WeakPolarHBondContact O-CA 3.36Å; N228-G232 PolarHBondContact O-N 2.94Å
233V89.2Confident89Confident4 Ų448.1 Ų48.12%0.02428%0.283CS..SBendtrans-67.7131.5176.1179.10000109.8T206 I225 L237 K238T206-V233 WeakPolarHBondContact O-CG2 3.27Å; I225-V233 HydrophobicContact CB-CG2 4.38Å; I225-V233 HydrophobicContact CG2-CG1 3.99Å; I225-V233 HydrophobicContact CG2-CG2 3.92Å; V233-L237 HydrophobicContact CG1-CB 3.9Å; V233-K238 HydrophobicContact CB-CG 4.22Å; V233-K238 HydrophobicContact CG1-CG 3.93Å; V233-K238 WeakPolarHBondContact O-CE 3.4Å
234S92.3Very high88.8Confident48 Ų4849.7 Ų49.734%0.33629%0.291SS..  trans-63.1142.9-17961.20000112.2D133 G236 L237 K238D133-S234 WeakPolarHBondContact OD2-CB 3.46Å; D133-S234 PolarHBondContact OD2-N 2.77Å; D133-S234 PolarHBondContact OD2-OG 3.08Å; S234-G236 PolarHBondContact O-N 2.88Å; S234-L237 PolarHBondContact O-N 2.85Å; S234-L237 WeakPolarHBondContact OG-CG 3.41Å; S234-K238 PolarHBondContact O-N 2.77Å
235A92Very high88.3Confident74 Ų7449.7 Ų49.761%0.61229%0.29SS*.Hα-helixtrans-58.1-23.9-176.900000114
236G91.7Very high87.6Confident45 Ų4550.7 Ų50.746%0.46430%0.297SS..Hα-helixtrans-68.3-43.1173.200000112.4S234S234-G236 PolarHBondContact O-N 2.88Å
237L93.4Very high86.5Confident6 Ų651.7 Ų51.73%0.03130%0.302CS..Hα-helixtrans-75.4-34.6179.1-58.3-178000112.1D133 L189 A190 I193 I225 V233 S234 K239 E240 V241D133-L237 HydrophobicContact CB-CD1 3.82Å; D133-L237 VanDerWaalsContact OD2-CD1 3.32Å; D133-L237 WeakPolarHBondContact OD2-CD1 3.38Å; L189-L237 HydrophobicContact CB-CD1 4.06Å; L189-L237 HydrophobicContact CB-CD2 3.69Å; L189-L237 HydrophobicContact CD1-CD1 3.87Å; A190-L237 HydrophobicContact CB-CD2 3.9Å; I193-L237 HydrophobicContact CD1-CB 4.31Å; I193-L237 HydrophobicContact CD1-CD2 3.68Å; I193-L237 HydrophobicContact CD1-CG 4.39Å; I225-L237 HydrophobicContact CD1-CB 4.29Å; I225-L237 HydrophobicContact CG2-CD1 4.41Å; V233-L237 HydrophobicContact CG1-CB 3.9Å; S234-L237 PolarHBondContact O-N 2.85Å; S234-L237 WeakPolarHBondContact OG-CG 3.41Å; L237-K239 PolarHBondContact O-N 2.82Å; L237-E240 WeakPolarHBondContact O-CA 3.31Å; L237-E240 PolarHBondContact O-N 2.74Å; L237-V241 PolarHBondContact O-N 2.87Å
238K92.5Very high84.7Confident77 Ų7753.4 Ų53.434%0.33531%0.311SS..Hα-helixtrans-55.3-26.4175.3-68-167.8-174.2-172.60113.6D207 V233 S234 E240 V241 M244D207-K238 IonicContact OD1-NZ 3.73Å; D207-K238 VanDerWaalsContact OD2-CE 3.32Å; D207-K238 WeakPolarHBondContact OD2-CE 3.45Å; D207-K238 IonicContact OD2-NZ 2.71Å; D207-K238 PolarHBondContact OD2-NZ 3.38Å; V233-K238 HydrophobicContact CB-CG 4.22Å; V233-K238 HydrophobicContact CG1-CG 3.93Å; V233-K238 WeakPolarHBondContact O-CE 3.4Å; S234-K238 PolarHBondContact O-N 2.77Å; K238-E240 VanDerWaalsContact C-N 3.29Å; K238-V241 WeakPolarHBondContact O-CG2 3.48Å; K238-M244 HydrophobicContact CG-CE 4.35Å
239K91.9Very high82.6Confident178 Ų17855.1 Ų55.177%0.77432%0.32SS*.THydrogen-bonded Turntrans-77.3-18176.7-66.2176.9-176.5-178.10113.5L237L237-K239 PolarHBondContact O-N 2.82Å
240E92.3Very high80.6Confident44 Ų4458.3 Ų58.321%0.20634%0.344CS..THydrogen-bonded Turntrans-103.8-6.2-176-55.7-73.3172.800111.2I193 K194 K197 L237 K238I193-E240 HydrophobicContact CD1-CB 4.48Å; I193-E240 HydrophobicContact CG2-CB 3.78Å; K194-E240 WeakPolarHBondContact CE-OE1 3.29Å; K194-E240 WeakPolarHBondContact CE-OE2 3.49Å; K194-E240 IonicContact NZ-OE1 3.12Å; K194-E240 PolarHBondContact NZ-OE1 3.22Å; K194-E240 IonicContact NZ-OE2 2.91Å; K197-E240 WeakPolarHBondContact CE-O 3.29Å; K197-E240 PolarHBondContact NZ-O 2.77Å; L237-E240 WeakPolarHBondContact O-CA 3.31Å; L237-E240 PolarHBondContact O-N 2.74Å; K238-E240 VanDerWaalsContact C-N 3.29Å
241V91.3Very high78.5Confident21 Ų2157.3 Ų57.313%0.12733%0.333CS..  trans-72.8149173.2-600000110.8I203 I225 L237 K238 M244I203-V241 HydrophobicContact CG2-CG1 4.38Å; I225-V241 HydrophobicContact CD1-CG1 3.7Å; L237-V241 PolarHBondContact O-N 2.87Å; K238-V241 WeakPolarHBondContact O-CG2 3.48Å; V241-M244 HydrophobicContact CB-SD 4.11Å; V241-M244 HydrophobicContact CG1-SD 4.06Å; V241-M244 HydrophobicContact CG2-CG 4.05Å; V241-M244 HydrophobicContact CG2-SD 3.33Å; V241-M244 WeakPolarHBondContact CG2-SD 3.45Å
242D89Confident75.9Confident69 Ų6958.6 Ų58.637%0.36934%0.342SS..SBendtrans-81.3-37.1171.5-59.9-57.6000110.7K197 W202 I203K197-D242 WeakPolarHBondContact CE-OD1 3.41Å; K197-D242 WeakPolarHBondContact CE-OD2 3.45Å; K197-D242 IonicContact NZ-OD1 2.71Å; K197-D242 PolarHBondContact NZ-OD1 2.82Å; K197-D242 IonicContact NZ-OD2 3.85Å; W202-D242 HydrophobicContact CE3-CB 3.84Å; W202-D242 HydrophobicContact CZ3-CB 4.21Å; I203-D242 PolarHBondContact N-OD2 2.81Å; I203-D242 PolarHBondContact O-N 3.45Å
243E87.4Confident73.1Confident69 Ų6961.7 Ų61.732%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-152.1149.2176.7-173.9172.6-17400111.4F204 G205 T211F204-E243 VanDerWaalsContact CA-O 3.31Å; F204-E243 WeakPolarHBondContact CA-O 3.28Å; F204-E243 HydrophobicContact CD1-CB 3.8Å; F204-E243 HydrophobicContact CE1-CB 3.81Å; G205-E243 PolarHBondContact N-O 3.25Å; T211-E243 WeakPolarHBondContact CB-OE1 3.48Å; T211-E243 PolarHBondContact OG1-OE1 3.32Å
244M87.4Confident70.5Confident33 Ų3369.6 Ų69.616%0.16339%0.391CS..EExtended strand (participates in β ladder)trans-98.4133.6172.3-62.8-58.4-64.500109.4G205 D207 G210 T211 K238 V241G205-M244 CarbonylContact O-C 3.51Å; G205-M244 WeakPolarHBondContact O-CA 3.41Å; D207-M244 HydrophobicContact CB-CE 3.49Å; D207-M244 VanDerWaalsContact CB-CE 3.49Å; G210-M244 CarbonylContact C-O 3.47Å; G210-M244 VanDerWaalsContact CA-O 3.23Å; G210-M244 WeakPolarHBondContact CA-O 3.47Å; T211-M244 PolarHBondContact N-O 3.4Å; K238-M244 HydrophobicContact CG-CE 4.35Å; V241-M244 HydrophobicContact CB-SD 4.11Å; V241-M244 HydrophobicContact CG1-SD 4.06Å; V241-M244 HydrophobicContact CG2-CG 4.05Å; V241-M244 HydrophobicContact CG2-SD 3.33Å; V241-M244 WeakPolarHBondContact CG2-SD 3.45Å
245L79.5Confident68.1Low1 Ų171.1 Ų71.11%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-106.2145.3176-55.7180000110.3F204 G205 T206 D207 T211 W216 L224F204-L245 HydrophobicContact CB-CD1 3.96Å; F204-L245 HydrophobicContact CB-CG 4.19Å; F204-L245 HydrophobicContact CD1-CD1 4.34Å; F204-L245 HydrophobicContact CD1-CD2 4.31Å; F204-L245 HydrophobicContact CD1-CG 4.27Å; F204-L245 HydrophobicContact CG-CD1 4.26Å; G205-L245 PolarHBondContact O-N 3.08Å; T206-L245 WeakPolarHBondContact CA-O 3.39Å; D207-L245 PolarHBondContact N-O 2.82Å; T211-L245 CarbonylContact O-C 3.53Å; T211-L245 VanDerWaalsContact O-CA 3.31Å; T211-L245 WeakPolarHBondContact O-CA 3.3Å; W216-L245 HydrophobicContact CB-CD2 3.99Å; W216-L245 VanDerWaalsContact CD1-CD2 3.49Å; W216-L245 HydrophobicContact CD2-CD1 3.49Å; W216-L245 VanDerWaalsContact CD2-CD1 3.49Å; W216-L245 HydrophobicContact CD2-CD2 3.96Å; W216-L245 HydrophobicContact CD2-CG 4.38Å; W216-L245 HydrophobicContact CE3-CD1 3.62Å; W216-L245 HydrophobicContact CG-CD1 4.04Å; W216-L245 HydrophobicContact CG-CD2 3.56Å; W216-L245 HydrophobicContact CG-CG 4.46Å; W216-L245 HydrophobicContact CH2-CD1 4.01Å; W216-L245 HydrophobicContact CZ2-CD1 3.92Å; W216-L245 HydrophobicContact CZ3-CD1 3.87Å; L224-L245 HydrophobicContact CD1-CD1 4.07Å
246T77.5Confident65.8Low21 Ų2170.6 Ų70.613%0.12939%0.388CS..EExtended strand (participates in β ladder)trans-121.8145.7173-167.60000111.6D207 M208 G210 T211 Y213 P248D207-T246 VanDerWaalsContact O-CA 3.31Å; D207-T246 WeakPolarHBondContact O-CA 3.45Å; D207-T246 VanDerWaalsContact O-CB 3.31Å; D207-T246 WeakPolarHBondContact O-CB 2.98Å; D207-T246 PolarHBondContact O-OG1 2.93Å; D207-T246 VanDerWaalsContact O-OG1 3.06Å; M208-T246 PolarHBondContact O-OG1 3.45Å; M208-T246 VanDerWaalsContact O-OG1 3.09Å; G210-T246 VanDerWaalsContact O-CG2 3.29Å; G210-T246 WeakPolarHBondContact O-CG2 3.3Å; T211-T246 PolarHBondContact O-N 2.87Å; Y213-T246 PolarHBondContact N-O 2.81Å; T246-P248 WeakPolarHBondContact O-CD 3.48Å
247I65.4Low64.1Low26 Ų2672 Ų7213%0.13339%0.385CS..  trans-99.4110166.4-57.8176.4000106.7Y213 M249 L256 A261 L264 L265Y213-I247 HydrophobicContact CD1-CB 4.35Å; Y213-I247 HydrophobicContact CD1-CG1 4.12Å; Y213-I247 HydrophobicContact CD1-CG2 4.33Å; Y213-I247 HydrophobicContact CE1-CB 4.5Å; Y213-I247 HydrophobicContact CE1-CG1 4.49Å; Y213-I247 HydrophobicContact CE1-CG2 3.98Å; I247-M249 PolarHBondContact O-N 3.2Å; I247-M249 VanDerWaalsContact O-N 3.12Å; I247-L256 HydrophobicContact CB-CD1 4.46Å; I247-L256 HydrophobicContact CD1-CD1 4.3Å; I247-L256 HydrophobicContact CG2-CD1 3.73Å; I247-A261 VanDerWaalsContact CD1-CA 3.5Å; I247-A261 HydrophobicContact CD1-CB 3.49Å; I247-A261 VanDerWaalsContact CD1-CB 3.49Å; I247-A261 WeakPolarHBondContact CD1-O 3.18Å; I247-L264 HydrophobicContact CG2-CD1 4.31Å; I247-L265 HydrophobicContact CD1-CD1 4.21Å; I247-L265 HydrophobicContact CD1-CD2 4.16Å; I247-L265 HydrophobicContact CD1-CG 3.97Å; I247-L265 HydrophobicContact CG1-CD2 3.9Å; I247-L265 HydrophobicContact CG1-CG 4.27Å
248P47.8Very low61.6Low44 Ų4472.2 Ų72.229%0.28639%0.388SS..  trans-58.4118.7-179.2-23.632.5000111.4D212 T246D212-P248 HydrophobicContact CB-CG 4.36Å; D212-P248 WeakPolarHBondContact OD1-CG 3.44Å; D212-P248 WeakPolarHBondContact OD2-CG 3.19Å; T246-P248 WeakPolarHBondContact O-CD 3.48Å
249M45.7Very low59.2Low54 Ų5468.7 Ų68.727%0.26637%0.373SS..  trans-94.6113.1174.9-60.6-66.1-7500108.7M208 I247 V253 L256M208-M249 HydrophobicContact CE-CG 4.15Å; I247-M249 PolarHBondContact O-N 3.2Å; I247-M249 VanDerWaalsContact O-N 3.12Å; M249-V253 HydrophobicContact CE-CB 4.2Å; M249-V253 HydrophobicContact CE-CG2 3.71Å; M249-V253 WeakPolarHBondContact CE-O 3.49Å; M249-L256 HydrophobicContact CE-CD2 4.48Å; M249-L256 HydrophobicContact CE-CG 4Å; M249-L256 HydrophobicContact SD-CD1 3.9Å; M249-L256 HydrophobicContact SD-CG 3.71Å
250T35.8Very low57.2Low136 Ų13663.8 Ų63.883%0.83436%0.358SS*.  trans-98.5-0178.752.20000113.6
251G35.8Very low55.1Low51 Ų5162.3 Ų62.353%0.52635%0.354SS..SBendtrans-109.9-166.4-177.200000114.6
252H28.3Very low52.8Low199 Ų19961.4 Ų61.492%0.92135%0.348SS*.SBendtrans-84.5-7.6-178.9-61.291.1000114.3
253V28.3Very low51Low96 Ų9659.4 Ų59.458%0.58234%0.344SS*.  trans-88.4134178.4-82.30000109.9M249M249-V253 HydrophobicContact CE-CB 4.2Å; M249-V253 HydrophobicContact CE-CG2 3.71Å; M249-V253 WeakPolarHBondContact CE-O 3.49Å
254Q34.7Very low49.2Very low170 Ų17058.4 Ų58.479%0.79434%0.341SS*.SBendtrans-90.2-7.1-174.1-66.5-173.7-28.300113.8M208M208-Q254 WeakPolarHBondContact CE-O 3.44Å
255S42.3Very low47.5Very low80 Ų8058 Ų5856%0.55934%0.339SS*.  trans-155.7153.817658.20000110.9
256L43Very low46.2Very low62 Ų6259.9 Ų59.933%0.32535%0.349SS..  trans-92.8153.9167.2-75.2162.9000109.5I247 M249 A258 V260 A261 L264I247-L256 HydrophobicContact CB-CD1 4.46Å; I247-L256 HydrophobicContact CD1-CD1 4.3Å; I247-L256 HydrophobicContact CG2-CD1 3.73Å; M249-L256 HydrophobicContact CE-CD2 4.48Å; M249-L256 HydrophobicContact CE-CG 4Å; M249-L256 HydrophobicContact SD-CD1 3.9Å; M249-L256 HydrophobicContact SD-CG 3.71Å; L256-A258 PolarHBondContact O-N 3.34Å; L256-V260 HydrophobicContact CD2-CG1 4.01Å; L256-A261 HydrophobicContact CB-CB 4.23Å; L256-L264 HydrophobicContact CD1-CD1 3.6Å
257N57.4Low45.4Very low74 Ų7462.9 Ų62.940%0.39636%0.361SS..  trans-57.6134.7164.7-178.7-66.2000108.7N140 G259 V260 A261N140-N257 PolarHBondContact OD1-ND2 3.09Å; N257-G259 PolarHBondContact O-N 3.01Å; N257-G259 VanDerWaalsContact O-N 3.13Å; N257-G259 PolarHBondContact OD1-N 3.35Å; N257-V260 HydrophobicContact CB-CB 4.45Å; N257-V260 HydrophobicContact CB-CG2 4.09Å; N257-V260 WeakPolarHBondContact O-CA 3.39Å; N257-V260 WeakPolarHBondContact O-CB 3.32Å; N257-V260 PolarHBondContact O-N 3.09Å; N257-A261 PolarHBondContact O-N 2.96Å
258A40.5Very low45.2Very low11 Ų1163.6 Ų63.69%0.09137%0.365CS..Hα-helixtrans-54.4-34.2-174.500000113.9I144 I226 L256 A262I144-A258 HydrophobicContact CD1-CB 3.78Å; I144-A258 HydrophobicContact CG1-CB 4.37Å; I226-A258 HydrophobicContact CG2-CB 3.82Å; L256-A258 PolarHBondContact O-N 3.34Å; A258-A262 WeakPolarHBondContact O-CB 3.35Å; A258-A262 PolarHBondContact O-N 2.77Å
259G42.9Very low46Very low3 Ų361.6 Ų61.63%0.03135%0.352CS..Hα-helixtrans-68.2-37.2173.800000113.2N257 G263N257-G259 PolarHBondContact O-N 3.01Å; N257-G259 VanDerWaalsContact O-N 3.13Å; N257-G259 PolarHBondContact OD1-N 3.35Å; G259-G263 PolarHBondContact O-N 2.83Å
260V48.7Very low47.2Very low75 Ų7559.1 Ų59.146%0.45534%0.339SS..Hα-helixtrans-71.1-41.4176.1179.90000110.8L256 N257 A262 G263 L264L256-V260 HydrophobicContact CD2-CG1 4.01Å; N257-V260 HydrophobicContact CB-CB 4.45Å; N257-V260 HydrophobicContact CB-CG2 4.09Å; N257-V260 WeakPolarHBondContact O-CA 3.39Å; N257-V260 WeakPolarHBondContact O-CB 3.32Å; N257-V260 PolarHBondContact O-N 3.09Å; V260-A262 VanDerWaalsContact C-N 3.34Å; V260-G263 PolarHBondContact O-N 3.02Å; V260-L264 HydrophobicContact CG1-CD1 4.36Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CG 3.23Å; V260-L264 PolarHBondContact O-N 3.5Å
261A48.6Very low48.9Very low14 Ų1452.6 Ų52.612%0.11630%0.3CS..Hα-helixtrans-57.5-48.9173.700000110.7I247 L256 N257 G263 L264 L265I247-A261 VanDerWaalsContact CD1-CA 3.5Å; I247-A261 HydrophobicContact CD1-CB 3.49Å; I247-A261 VanDerWaalsContact CD1-CB 3.49Å; I247-A261 WeakPolarHBondContact CD1-O 3.18Å; L256-A261 HydrophobicContact CB-CB 4.23Å; N257-A261 PolarHBondContact O-N 2.96Å; A261-G263 PolarHBondContact O-N 2.85Å; A261-L264 PolarHBondContact O-N 3.14Å; A261-L265 VanDerWaalsContact O-CG 3.29Å; A261-L265 WeakPolarHBondContact O-CG 3.47Å; A261-L265 PolarHBondContact O-N 2.95Å
262A43.3Very low51.1Low1 Ų150.4 Ų50.41%0.00828%0.276CS..Hα-helixtrans-56.3-49.9174.700000111.3T147 A258 V260 L264 L265 M266T147-A262 HydrophobicContact CG2-CB 4.35Å; A258-A262 WeakPolarHBondContact O-CB 3.35Å; A258-A262 PolarHBondContact O-N 2.77Å; V260-A262 VanDerWaalsContact C-N 3.34Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-L264 PolarHBondContact O-N 2.83Å; A262-L265 PolarHBondContact O-N 3.41Å; A262-M266 VanDerWaalsContact C-CE 3.43Å; A262-M266 HydrophobicContact CB-CE 4.1Å; A262-M266 WeakPolarHBondContact O-CE 3.1Å; A262-M266 WeakPolarHBondContact O-CG 3.17Å
263G50.6Low53.6Low28 Ų2841 Ų4129%0.28923%0.232SC..Hα-helixtrans-60.1-37.2-179.600000114.4G259 V260 A261 M266G259-G263 PolarHBondContact O-N 2.83Å; V260-G263 PolarHBondContact O-N 3.02Å; A261-G263 PolarHBondContact O-N 2.85Å; G263-M266 PolarHBondContact O-N 3.19Å
264L49.6Very low56.2Low47 Ų4737.2 Ų37.225%0.24621%0.208CC..Hα-helixtrans-69.5-33.1177.7-72.7177.2000113Y213 I247 L256 V260 A261 A262 M266 Q267Y213-L264 WeakPolarHBondContact CE2-O 3.34Å; I247-L264 HydrophobicContact CG2-CD1 4.31Å; L256-L264 HydrophobicContact CD1-CD1 3.6Å; V260-L264 HydrophobicContact CG1-CD1 4.36Å; V260-L264 HydrophobicContact CG1-CG 4.49Å; V260-L264 WeakPolarHBondContact O-CG 3.23Å; V260-L264 PolarHBondContact O-N 3.5Å; A261-L264 PolarHBondContact O-N 3.14Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-L264 PolarHBondContact O-N 2.83Å; L264-M266 PolarHBondContact O-N 3.27Å; L264-Q267 VanDerWaalsContact CD2-NE2 3.28Å
265L51.4Low58.2Low25 Ų2532.1 Ų32.113%0.13119%0.186CC..THydrogen-bonded Turntrans-69.9-8.1176.8-65173000112.7T206 Y213 L224 I247 A261 A262T206-L265 HydrophobicContact CG2-CD1 4.17Å; Y213-L265 HydrophobicContact CD1-CD2 4.1Å; Y213-L265 HydrophobicContact CD2-CD2 3.56Å; Y213-L265 HydrophobicContact CE2-CD2 4.41Å; Y213-L265 HydrophobicContact CG-CD2 3.34Å; L224-L265 HydrophobicContact CD2-CD1 3.63Å; I247-L265 HydrophobicContact CD1-CD1 4.21Å; I247-L265 HydrophobicContact CD1-CD2 4.16Å; I247-L265 HydrophobicContact CD1-CG 3.97Å; I247-L265 HydrophobicContact CG1-CD2 3.9Å; I247-L265 HydrophobicContact CG1-CG 4.27Å; A261-L265 VanDerWaalsContact O-CG 3.29Å; A261-L265 WeakPolarHBondContact O-CG 3.47Å; A261-L265 PolarHBondContact O-N 2.95Å; A262-L265 PolarHBondContact O-N 3.41Å
266M53.7Low59.8Low41 Ų4128.9 Ų28.920%0.20216%0.162CC..THydrogen-bonded Turntrans-114.926.4-172.3-61-174.9-68.800113.4F128 T147 S151 V153 A262 G263 L264F128-M266 HydrophobicContact CE1-CG 4.32Å; F128-M266 HydrophobicContact CE1-SD 3.89Å; T147-M266 HydrophobicContact CG2-CE 3.26Å; S151-M266 WeakPolarHBondContact CB-SD 3.46Å; S151-M266 WeakPolarHBondContact OG-CE 3.42Å; S151-M266 PolarHBondContact OG-SD 3.42Å; V153-M266 HydrophobicContact CG2-SD 4.17Å; A262-M266 VanDerWaalsContact C-CE 3.43Å; A262-M266 HydrophobicContact CB-CE 4.1Å; A262-M266 WeakPolarHBondContact O-CE 3.1Å; A262-M266 WeakPolarHBondContact O-CG 3.17Å; G263-M266 PolarHBondContact O-N 3.19Å; L264-M266 PolarHBondContact O-N 3.27Å
267Q59Low61.5Low84 Ų8425.9 Ų25.939%0.39315%0.146SC..  trans-77.4121.5-170.2-82.9176.7-15.100116L264 L312 E313L264-Q267 VanDerWaalsContact CD2-NE2 3.28Å; Q267-L312 HydrophobicContact CB-CD2 4.26Å; Q267-E313 PolarHBondContact O-N 3.3Å
268L61.2Low62.2Low41 Ų4124.4 Ų24.422%0.21515%0.148CC..EExtended strand (participates in β ladder)trans-101.4136176.2-177.470.3000112.1I270 E313 I315 L357L268-I270 HydrophobicContact CD2-CD1 4.19Å; L268-I270 HydrophobicContact CD2-CG1 4.26Å; L268-I270 HydrophobicContact CG-CG1 4.24Å; L268-E313 CarbonylContact C-O 3.59Å; L268-E313 WeakPolarHBondContact CA-O 3.08Å; L268-E313 HydrophobicContact CD1-CB 3.74Å; L268-E313 HydrophobicContact CD1-CG 3.55Å; L268-I315 HydrophobicContact CD1-CD1 3.97Å; L268-I315 HydrophobicContact CD1-CG1 3.92Å; L268-I315 HydrophobicContact CD2-CD1 3.98Å; L268-I315 HydrophobicContact CG-CD1 4.37Å; L268-L357 HydrophobicContact CD2-CD1 3.63Å
269L65Low63.6Low2 Ų225.9 Ų25.91%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-107.3131.9173.4176.965.1000109.9V271 Y306 L312 E313 T314 I315 L372 L374L269-V271 HydrophobicContact CD1-CG2 4.43Å; L269-V271 HydrophobicContact CD2-CG2 4.1Å; L269-V271 HydrophobicContact CG-CG2 3.92Å; L269-Y306 HydrophobicContact CD2-CD1 4.31Å; L269-Y306 HydrophobicContact CD2-CE1 4.2Å; L269-L312 HydrophobicContact CB-CB 4.16Å; L269-L312 HydrophobicContact CB-CD1 4.26Å; L269-L312 HydrophobicContact CD2-CD1 4.01Å; L269-E313 PolarHBondContact N-O 3.26Å; L269-T314 HydrophobicContact CB-CG2 4.26Å; L269-T314 HydrophobicContact CD2-CG2 3.88Å; L269-T314 HydrophobicContact CG-CG2 4.08Å; L269-T314 CarbonylContact O-C 3.56Å; L269-T314 VanDerWaalsContact O-CA 3.25Å; L269-T314 WeakPolarHBondContact O-CA 3.48Å; L269-I315 PolarHBondContact O-N 3.24Å; L269-L372 HydrophobicContact CD1-CB 4.24Å; L269-L372 HydrophobicContact CD1-CD2 4.18Å; L269-L372 HydrophobicContact CD1-CG 4.38Å; L269-L374 HydrophobicContact CD1-CD1 4.28Å
270I70.5Confident65Low1 Ų129.2 Ų29.21%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-122.6127.3176.3-50.9179.5000109.4L268 I315 V317 I350 I353 L357 I371 F373L268-I270 HydrophobicContact CD2-CD1 4.19Å; L268-I270 HydrophobicContact CD2-CG1 4.26Å; L268-I270 HydrophobicContact CG-CG1 4.24Å; I270-I315 CarbonylContact C-O 3.5Å; I270-I315 WeakPolarHBondContact CA-O 3.1Å; I270-I315 HydrophobicContact CG1-CB 4.36Å; I270-I315 HydrophobicContact CG1-CD1 4.37Å; I270-I315 HydrophobicContact CG2-CB 4.33Å; I270-V317 HydrophobicContact CG2-CG2 4.08Å; I270-I350 HydrophobicContact CG2-CD1 4.36Å; I270-I350 HydrophobicContact CG2-CG1 3.81Å; I270-I350 HydrophobicContact CG2-CG2 4.24Å; I270-I353 HydrophobicContact CD1-CG2 3.72Å; I270-L357 HydrophobicContact CD1-CD1 3.98Å; I270-I371 HydrophobicContact CD1-CG2 4.33Å; I270-F373 HydrophobicContact CB-CE1 4.4Å
271V71.3Confident66.4Low0 Ų030.5 Ų30.50%018%0.182CC..EExtended strand (participates in β ladder)trans-124.3133-171.2-174.50000110.8L269 G273 M276 L303 T314 I315 V316 V317L269-V271 HydrophobicContact CD1-CG2 4.43Å; L269-V271 HydrophobicContact CD2-CG2 4.1Å; L269-V271 HydrophobicContact CG-CG2 3.92Å; V271-G273 PolarHBondContact O-N 3.25Å; V271-M276 HydrophobicContact CG1-CB 4.47Å; V271-M276 HydrophobicContact CG1-CG 3.4Å; V271-M276 VanDerWaalsContact CG1-CG 3.4Å; V271-M276 HydrophobicContact CG1-SD 4.45Å; V271-L303 HydrophobicContact CB-CD1 4.23Å; V271-L303 HydrophobicContact CG1-CD1 3.88Å; V271-L303 HydrophobicContact CG2-CD1 4.3Å; V271-L303 HydrophobicContact CG2-CD2 4.34Å; V271-T314 HydrophobicContact CG2-CG2 4.11Å; V271-I315 PolarHBondContact N-O 3.37Å; V271-V316 CarbonylContact O-C 3.6Å; V271-V316 WeakPolarHBondContact O-CA 3.34Å; V271-V317 PolarHBondContact O-N 2.95Å
272D81.9Confident67.9Low5 Ų534 Ų343%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-81.8112.7166.2-179.3-31.6000109.8Y274 N275 M276 I350D272-Y274 PolarHBondContact OD1-N 3.42Å; D272-Y274 VanDerWaalsContact OD1-N 3.1Å; D272-N275 HydrophobicContact CB-CB 3.97Å; D272-N275 PolarHBondContact OD1-N 2.86Å; D272-N275 PolarHBondContact OD2-ND2 3.01Å; D272-M276 WeakPolarHBondContact O-CG 3.32Å; D272-M276 PolarHBondContact O-N 2.79Å; D272-M276 VanDerWaalsContact O-N 3.09Å; D272-I350 HydrophobicContact CB-CD1 3.72Å
273G82.9Confident69.8Low0 Ų034 Ų340%020%0.196CC..Hα-helixtrans-65.5-43-17300000114V271 M276 I277 L299 V317 F318V271-G273 PolarHBondContact O-N 3.25Å; G273-M276 PolarHBondContact O-N 3.16Å; G273-I277 WeakPolarHBondContact O-CG1 3.42Å; G273-I277 PolarHBondContact O-N 2.86Å; G273-L299 VanDerWaalsContact O-CD2 3.3Å; G273-L299 WeakPolarHBondContact O-CD2 3.33Å; G273-V317 PolarHBondContact N-O 2.81Å; G273-F318 VanDerWaalsContact CA-CE1 3.46Å
274Y82.9Confident71.4Confident17 Ų1734.2 Ų34.27%0.06719%0.192CC..Hα-helixtrans-76.5-34.2-178.4-70.8-53.2000112.7D272 M276 I277 G278 L292 R296 F318 D319D272-Y274 PolarHBondContact OD1-N 3.42Å; D272-Y274 VanDerWaalsContact OD1-N 3.1Å; Y274-M276 VanDerWaalsContact C-N 3.28Å; Y274-M276 PolarHBondContact O-N 3.05Å; Y274-I277 HydrophobicContact CD1-CD1 4.16Å; Y274-I277 PolarHBondContact O-N 3.06Å; Y274-G278 PolarHBondContact O-N 3.47Å; Y274-L292 HydrophobicContact CD1-CD1 4.29Å; Y274-L292 HydrophobicContact CE1-CD1 3.89Å; Y274-L292 HydrophobicContact CE1-CD2 3.89Å; Y274-L292 HydrophobicContact CE1-CG 4.17Å; Y274-R296 PolarHBondContact OH-NE 2.74Å; Y274-R296 PolarHBondContact OH-NH2 3.44Å; Y274-F318 HydrophobicContact CD1-CD1 4.18Å; Y274-F318 HydrophobicContact CD2-CD1 4.38Å; Y274-F318 HydrophobicContact CE1-CD1 4.07Å; Y274-F318 HydrophobicContact CE2-CB 4.08Å; Y274-F318 HydrophobicContact CE2-CD1 4.29Å; Y274-F318 HydrophobicContact CG-CD1 4.32Å; Y274-D319 HydrophobicContact CD2-CB 3.99Å; Y274-D319 HydrophobicContact CE2-CB 3.8Å; Y274-D319 WeakPolarHBondContact CE2-O 3.34Å; Y274-D319 PolarHBondContact OH-O 2.84Å
275N76.4Confident73.2Confident63 Ų6334 Ų3434%0.33720%0.197SC..Hα-helixtrans-63.1-37.1172.5-85.1-27.8000111.4D272 A279D272-N275 HydrophobicContact CB-CB 3.97Å; D272-N275 PolarHBondContact OD1-N 2.86Å; D272-N275 PolarHBondContact OD2-ND2 3.01Å; N275-A279 WeakPolarHBondContact O-CB 3.43Å; N275-A279 PolarHBondContact O-N 3.11Å; N275-A279 VanDerWaalsContact O-N 3.14Å
276M75.2Confident74.9Confident12 Ų1234.3 Ų34.36%0.05920%0.199CC..Hα-helixtrans-68.3-43.6172.6-72-63.193.600113.4V271 D272 G273 Y274 G278 A279 W280 L299 L374V271-M276 HydrophobicContact CG1-CB 4.47Å; V271-M276 HydrophobicContact CG1-CG 3.4Å; V271-M276 VanDerWaalsContact CG1-CG 3.4Å; V271-M276 HydrophobicContact CG1-SD 4.45Å; D272-M276 WeakPolarHBondContact O-CG 3.32Å; D272-M276 PolarHBondContact O-N 2.79Å; D272-M276 VanDerWaalsContact O-N 3.09Å; G273-M276 PolarHBondContact O-N 3.16Å; Y274-M276 VanDerWaalsContact C-N 3.28Å; Y274-M276 PolarHBondContact O-N 3.05Å; M276-G278 VanDerWaalsContact C-N 3.26Å; M276-G278 PolarHBondContact O-N 2.87Å; M276-A279 HydrophobicContact CE-CB 4.44Å; M276-A279 PolarHBondContact O-N 3.25Å; M276-A279 VanDerWaalsContact O-N 3.07Å; M276-W280 PolarHBondContact O-N 3.34Å; M276-L299 HydrophobicContact CB-CD1 3.62Å; M276-L299 HydrophobicContact CB-CD2 3.98Å; M276-L299 HydrophobicContact CB-CG 4.48Å; M276-L299 HydrophobicContact CG-CD1 4.39Å; M276-L374 HydrophobicContact CE-CB 4.36Å; M276-L374 HydrophobicContact SD-CB 4.33Å
277I79Confident76.5Confident0 Ų036.8 Ų36.80%021%0.208CC..Hα-helixtrans-57.6-42.3174.9-73.2165.5000111G273 Y274 A279 L283 T284 K287 A295 R296 L299 F318G273-I277 WeakPolarHBondContact O-CG1 3.42Å; G273-I277 PolarHBondContact O-N 2.86Å; Y274-I277 HydrophobicContact CD1-CD1 4.16Å; Y274-I277 PolarHBondContact O-N 3.06Å; I277-A279 VanDerWaalsContact C-N 3.28Å; I277-A279 PolarHBondContact O-N 2.68Å; I277-L283 HydrophobicContact CB-CB 4.36Å; I277-L283 HydrophobicContact CG1-CB 4.44Å; I277-L283 HydrophobicContact CG1-CD1 4.1Å; I277-L283 HydrophobicContact CG2-CB 4.12Å; I277-T284 PolarHBondContact O-N 3.25Å; I277-T284 PolarHBondContact O-OG1 2.98Å; I277-K287 HydrophobicContact CG2-CB 3.96Å; I277-K287 HydrophobicContact CG2-CD 4Å; I277-K287 HydrophobicContact CG2-CG 4.48Å; I277-A295 HydrophobicContact CD1-CB 4.18Å; I277-A295 HydrophobicContact CG1-CB 4.29Å; I277-A295 HydrophobicContact CG2-CB 3.93Å; I277-R296 HydrophobicContact CD1-CG 3.85Å; I277-L299 HydrophobicContact CD1-CD2 4.47Å; I277-L299 HydrophobicContact CG1-CB 4.29Å; I277-L299 HydrophobicContact CG1-CD2 4.11Å; I277-F318 HydrophobicContact CD1-CE1 3.98Å
278G72.3Confident77.9Confident42 Ų4238.7 Ų38.743%0.43322%0.221SC..Hα-helixtrans-73.2-15.1178.200000114.9Y274 M276 T284Y274-G278 PolarHBondContact O-N 3.47Å; M276-G278 VanDerWaalsContact C-N 3.26Å; M276-G278 PolarHBondContact O-N 2.87Å; G278-T284 PolarHBondContact O-OG1 3.29Å
279A68.8Low79.3Confident43 Ų4342 Ų4236%0.35524%0.236SC..Hα-helixtrans-93.8-22.8-179.700000113.3N275 M276 I277N275-A279 WeakPolarHBondContact O-CB 3.43Å; N275-A279 PolarHBondContact O-N 3.11Å; N275-A279 VanDerWaalsContact O-N 3.14Å; M276-A279 HydrophobicContact CE-CB 4.44Å; M276-A279 PolarHBondContact O-N 3.25Å; M276-A279 VanDerWaalsContact O-N 3.07Å; I277-A279 VanDerWaalsContact C-N 3.28Å; I277-A279 PolarHBondContact O-N 2.68Å
280W71.9Confident80.4Confident73 Ų7350.9 Ų50.928%0.27728%0.277SS..SBendtrans-100.8118.9-177.4-70.3-3000111.4M276 E282 L283 T284 L299 R302M276-W280 PolarHBondContact O-N 3.34Å; W280-E282 VanDerWaalsContact C-N 3.28Å; W280-E282 PolarHBondContact O-N 3.28Å; W280-E282 VanDerWaalsContact O-N 3.14Å; W280-L283 HydrophobicContact CB-CB 4.21Å; W280-L283 HydrophobicContact CB-CD1 4.2Å; W280-L283 HydrophobicContact CB-CG 4.02Å; W280-L283 HydrophobicContact CD2-CD1 4.22Å; W280-L283 HydrophobicContact CE3-CD1 3.4Å; W280-L283 VanDerWaalsContact CE3-CD1 3.4Å; W280-L283 HydrophobicContact CE3-CG 4.02Å; W280-L283 HydrophobicContact CZ3-CD1 4.07Å; W280-L283 PolarHBondContact O-N 3.25Å; W280-T284 WeakPolarHBondContact O-CB 2.94Å; W280-T284 PolarHBondContact O-N 2.71Å; W280-T284 PolarHBondContact O-OG1 2.7Å; W280-L299 HydrophobicContact CE3-CD1 4.2Å; W280-L299 HydrophobicContact CH2-CD1 4.04Å; W280-L299 HydrophobicContact CZ3-CD1 3.65Å; W280-R302 HydrophobicContact CH2-CB 4.04Å; W280-R302 HydrophobicContact CZ3-CB 3.67Å; W280-R302 HydrophobicContact CZ3-CG 4.13Å
281P78.6Confident81.2Confident101 Ų10155.5 Ų55.566%0.65629%0.294SS*.Hα-helixtrans-52.2-40.9-174.4-29.535.3000114.4T284 A285P281-T284 PolarHBondContact O-N 2.92Å; P281-A285 WeakPolarHBondContact O-CB 3.45Å; P281-A285 PolarHBondContact O-N 2.93Å
282E80.9Confident82Confident87 Ų8757 Ų5741%0.40730%0.302SS..Hα-helixtrans-67.6-39.6179.1-56.7106.9-155.700112.6W280 A285 L286 R302W280-E282 VanDerWaalsContact C-N 3.28Å; W280-E282 PolarHBondContact O-N 3.28Å; W280-E282 VanDerWaalsContact O-N 3.14Å; E282-A285 PolarHBondContact O-N 3.42Å; E282-L286 PolarHBondContact O-N 2.85Å; E282-R302 IonicContact OE2-CZ 2.63Å; E282-R302 IonicContact OE2-NH1 3.01Å; E282-R302 PolarHBondContact OE2-NH1 2.89Å; E282-R302 IonicContact OE2-NH2 3.42Å; E282-R302 PolarHBondContact OE2-NH2 2.94Å
283L83.1Confident82.3Confident1 Ų162.7 Ų62.71%0.00533%0.328CS..Hα-helixtrans-74.6-36178-58.1-169.8000111.6I277 W280 A285 L286 K287 A298 L299I277-L283 HydrophobicContact CB-CB 4.36Å; I277-L283 HydrophobicContact CG1-CB 4.44Å; I277-L283 HydrophobicContact CG1-CD1 4.1Å; I277-L283 HydrophobicContact CG2-CB 4.12Å; W280-L283 HydrophobicContact CB-CB 4.21Å; W280-L283 HydrophobicContact CB-CD1 4.2Å; W280-L283 HydrophobicContact CB-CG 4.02Å; W280-L283 HydrophobicContact CD2-CD1 4.22Å; W280-L283 HydrophobicContact CE3-CD1 3.4Å; W280-L283 VanDerWaalsContact CE3-CD1 3.4Å; W280-L283 HydrophobicContact CE3-CG 4.02Å; W280-L283 HydrophobicContact CZ3-CD1 4.07Å; W280-L283 PolarHBondContact O-N 3.25Å; L283-A285 VanDerWaalsContact C-N 3.29Å; L283-A285 PolarHBondContact O-N 2.76Å; L283-L286 HydrophobicContact CD2-CD1 4.4Å; L283-L286 PolarHBondContact O-N 2.94Å; L283-K287 PolarHBondContact O-N 3.47Å; L283-A298 HydrophobicContact CD2-CB 3.43Å; L283-A298 VanDerWaalsContact CD2-CB 3.43Å; L283-L299 HydrophobicContact CD1-CB 3.78Å; L283-L299 HydrophobicContact CD1-CD1 3.97Å; L283-L299 HydrophobicContact CD1-CG 4.46Å
284T84.2Confident82.6Confident34 Ų3467 Ų6721%0.20935%0.348CS..Hα-helixtrans-63.2-39.1173.5-58.10000110.3I277 G278 W280 P281 L286 K287 N288I277-T284 PolarHBondContact O-N 3.25Å; I277-T284 PolarHBondContact O-OG1 2.98Å; G278-T284 PolarHBondContact O-OG1 3.29Å; W280-T284 WeakPolarHBondContact O-CB 2.94Å; W280-T284 PolarHBondContact O-N 2.71Å; W280-T284 PolarHBondContact O-OG1 2.7Å; P281-T284 PolarHBondContact O-N 2.92Å; T284-L286 PolarHBondContact O-N 2.93Å; T284-K287 PolarHBondContact O-N 3.27Å; T284-N288 WeakPolarHBondContact O-CB 3.45Å; T284-N288 PolarHBondContact O-N 3.49Å; T284-N288 PolarHBondContact O-ND2 2.94Å; T284-N288 PolarHBondContact O-OD1 2.8Å
285A87.4Confident82.9Confident43 Ų4366.1 Ų66.136%0.35535%0.345SS..Hα-helixtrans-61.8-42.1174.300000112.1P281 E282 L283 N288 Q289P281-A285 WeakPolarHBondContact O-CB 3.45Å; P281-A285 PolarHBondContact O-N 2.93Å; E282-A285 PolarHBondContact O-N 3.42Å; L283-A285 VanDerWaalsContact C-N 3.29Å; L283-A285 PolarHBondContact O-N 2.76Å; A285-N288 PolarHBondContact O-N 2.92Å; A285-Q289 VanDerWaalsContact O-CG 3.28Å; A285-Q289 WeakPolarHBondContact O-CG 3.47Å; A285-Q289 PolarHBondContact O-N 2.98Å; A285-Q289 VanDerWaalsContact O-N 3.13Å
286L87.9Confident83.6Confident31 Ų3163.6 Ų63.616%0.16233%0.331CS..Hα-helixtrans-63.3-46.1173.7-70.2171.2000111.7E282 L283 T284 N288 Q289 R291 E294 A295 A298E282-L286 PolarHBondContact O-N 2.85Å; L283-L286 HydrophobicContact CD2-CD1 4.4Å; L283-L286 PolarHBondContact O-N 2.94Å; T284-L286 PolarHBondContact O-N 2.93Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 3.37Å; L286-Q289 PolarHBondContact O-N 3.15Å; L286-Q289 VanDerWaalsContact O-N 3.09Å; L286-R291 HydrophobicContact CB-CB 4.47Å; L286-R291 HydrophobicContact CD2-CB 4.39Å; L286-R291 WeakPolarHBondContact O-CA 3.49Å; L286-R291 WeakPolarHBondContact O-CB 3.45Å; L286-R291 PolarHBondContact O-N 3.39Å; L286-E294 HydrophobicContact CD1-CB 4.36Å; L286-E294 HydrophobicContact CD2-CB 4.44Å; L286-A295 HydrophobicContact CB-CB 3.85Å; L286-A295 HydrophobicContact CD1-CB 4.42Å; L286-A298 HydrophobicContact CD1-CB 4.49Å
287K86.4Confident84.3Confident93 Ų9366.2 Ų66.240%0.40434%0.343SS..Hα-helixtrans-56.8-43.7175.1-179.9179.9176.9-178.40111.9I277 L283 T284 Q289 E290 L292I277-K287 HydrophobicContact CG2-CB 3.96Å; I277-K287 HydrophobicContact CG2-CD 4Å; I277-K287 HydrophobicContact CG2-CG 4.48Å; L283-K287 PolarHBondContact O-N 3.47Å; T284-K287 PolarHBondContact O-N 3.27Å; K287-Q289 PolarHBondContact O-N 3.08Å; K287-E290 PolarHBondContact O-N 2.81Å; K287-E290 VanDerWaalsContact O-N 3.12Å; K287-L292 HydrophobicContact CG-CD1 4.17Å
288N88.7Confident84.8Confident124 Ų12467.6 Ų67.666%0.66336%0.355SS*.Hα-helixtrans-69.8-20179.2-69.1-13.4000113.5T284 A285 L286 E290T284-N288 WeakPolarHBondContact O-CB 3.45Å; T284-N288 PolarHBondContact O-N 3.49Å; T284-N288 PolarHBondContact O-ND2 2.94Å; T284-N288 PolarHBondContact O-OD1 2.8Å; A285-N288 PolarHBondContact O-N 2.92Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 3.37Å; N288-E290 VanDerWaalsContact C-N 3.27Å
289Q90.6Very high85.5Confident111 Ų11165.6 Ų65.652%0.51933%0.334SS..THydrogen-bonded Turntrans-89.714172.8-68.9171.514.800112.5A285 L286 K287 R291A285-Q289 VanDerWaalsContact O-CG 3.28Å; A285-Q289 WeakPolarHBondContact O-CG 3.47Å; A285-Q289 PolarHBondContact O-N 2.98Å; A285-Q289 VanDerWaalsContact O-N 3.13Å; L286-Q289 PolarHBondContact O-N 3.15Å; L286-Q289 VanDerWaalsContact O-N 3.09Å; K287-Q289 PolarHBondContact O-N 3.08Å; Q289-R291 HydrophobicContact CB-CG 4.24Å; Q289-R291 PolarHBondContact O-N 3.01Å
290E86.8Confident86.5Confident187 Ų18763.6 Ų63.687%0.87432%0.317SS*.THydrogen-bonded Turntrans60.619.4-174.6-55.7-175.916400113.9K287 N288 L292K287-E290 PolarHBondContact O-N 2.81Å; K287-E290 VanDerWaalsContact O-N 3.12Å; N288-E290 VanDerWaalsContact C-N 3.27Å; E290-L292 PolarHBondContact O-N 2.89Å
291R89.1Confident87.2Confident98 Ų9865.3 Ų65.337%0.3733%0.327SS..  trans-99.255-179.3-65.116369.5-1724.8111L286 Q289 E293 E294 A295L286-R291 HydrophobicContact CB-CB 4.47Å; L286-R291 HydrophobicContact CD2-CB 4.39Å; L286-R291 WeakPolarHBondContact O-CA 3.49Å; L286-R291 WeakPolarHBondContact O-CB 3.45Å; L286-R291 PolarHBondContact O-N 3.39Å; Q289-R291 HydrophobicContact CB-CG 4.24Å; Q289-R291 PolarHBondContact O-N 3.01Å; R291-E293 PolarHBondContact O-N 3.4Å; R291-E294 HydrophobicContact CB-CB 4.31Å; R291-E294 HydrophobicContact CB-CG 4.46Å; R291-E294 IonicContact CZ-OE1 3.84Å; R291-E294 IonicContact CZ-OE2 3.42Å; R291-E294 VanDerWaalsContact NE-CD 3.34Å; R291-E294 IonicContact NE-OE1 3.94Å; R291-E294 PolarHBondContact NE-OE1 3.36Å; R291-E294 IonicContact NE-OE2 2.71Å; R291-E294 PolarHBondContact NE-OE2 3.06Å; R291-E294 VanDerWaalsContact NH2-CD 3.32Å; R291-E294 IonicContact NH2-OE1 3.2Å; R291-E294 PolarHBondContact NH2-OE1 3.3Å; R291-E294 IonicContact NH2-OE2 3.28Å; R291-E294 PolarHBondContact NH2-OE2 2.79Å; R291-E294 PolarHBondContact O-N 2.78Å; R291-A295 PolarHBondContact O-N 3.34Å; R291-A295 VanDerWaalsContact O-N 3.11Å
292L86.9Confident87.3Confident31 Ų3165 Ų6516%0.16231%0.313CS..Hα-helixtrans-64.4-39.4-172.9-170.863.8000112.9Y274 K287 E290 E294 A295 R296 F322Y274-L292 HydrophobicContact CD1-CD1 4.29Å; Y274-L292 HydrophobicContact CE1-CD1 3.89Å; Y274-L292 HydrophobicContact CE1-CD2 3.89Å; Y274-L292 HydrophobicContact CE1-CG 4.17Å; K287-L292 HydrophobicContact CG-CD1 4.17Å; E290-L292 PolarHBondContact O-N 2.89Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 2.91Å; L292-A295 WeakPolarHBondContact O-CB 3.25Å; L292-A295 PolarHBondContact O-N 3.37Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 2.8Å; L292-F322 HydrophobicContact CD2-CD2 4.03Å; L292-F322 HydrophobicContact CD2-CE2 3.65Å
293E87.6Confident87.2Confident125 Ų12561.2 Ų61.258%0.58430%0.295SS*.Hα-helixtrans-63.2-38.3178-66.2-58.4162.400112R291 A295 R296 E297R291-E293 PolarHBondContact O-N 3.4Å; E293-A295 VanDerWaalsContact C-N 3.34Å; E293-R296 PolarHBondContact O-N 2.94Å; E293-R296 IonicContact OE1-CZ 2.72Å; E293-R296 IonicContact OE1-NH1 3.97Å; E293-R296 PolarHBondContact OE1-NH1 3.14Å; E293-R296 IonicContact OE2-CZ 3.17Å; E293-R296 IonicContact OE2-NH1 2.7Å; E293-R296 PolarHBondContact OE2-NH1 3.14Å; E293-E297 WeakPolarHBondContact O-CB 3.46Å; E293-E297 PolarHBondContact O-N 2.9Å
294E89.9Confident87.2Confident90 Ų9061.8 Ų61.842%0.42130%0.3SS..Hα-helixtrans-68.1-36.1175.1-62.2-175.1-116.200111.7L286 R291 L292 E297 A298L286-E294 HydrophobicContact CD1-CB 4.36Å; L286-E294 HydrophobicContact CD2-CB 4.44Å; R291-E294 HydrophobicContact CB-CB 4.31Å; R291-E294 HydrophobicContact CB-CG 4.46Å; R291-E294 IonicContact CZ-OE1 3.84Å; R291-E294 IonicContact CZ-OE2 3.42Å; R291-E294 VanDerWaalsContact NE-CD 3.34Å; R291-E294 IonicContact NE-OE1 3.94Å; R291-E294 PolarHBondContact NE-OE1 3.36Å; R291-E294 IonicContact NE-OE2 2.71Å; R291-E294 PolarHBondContact NE-OE2 3.06Å; R291-E294 VanDerWaalsContact NH2-CD 3.32Å; R291-E294 IonicContact NH2-OE1 3.2Å; R291-E294 PolarHBondContact NH2-OE1 3.3Å; R291-E294 IonicContact NH2-OE2 3.28Å; R291-E294 PolarHBondContact NH2-OE2 2.79Å; R291-E294 PolarHBondContact O-N 2.78Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 2.91Å; E294-E297 PolarHBondContact O-N 3.38Å; E294-A298 VanDerWaalsContact O-CB 3.29Å; E294-A298 WeakPolarHBondContact O-CB 3.25Å; E294-A298 PolarHBondContact O-N 3.32Å
295A89.2Confident86.7Confident0 Ų064 Ų640%031%0.31CS..Hα-helixtrans-64.7-41.1173.800000111.9I277 L286 R291 L292 E293 L299I277-A295 HydrophobicContact CD1-CB 4.18Å; I277-A295 HydrophobicContact CG1-CB 4.29Å; I277-A295 HydrophobicContact CG2-CB 3.93Å; L286-A295 HydrophobicContact CB-CB 3.85Å; L286-A295 HydrophobicContact CD1-CB 4.42Å; R291-A295 PolarHBondContact O-N 3.34Å; R291-A295 VanDerWaalsContact O-N 3.11Å; L292-A295 WeakPolarHBondContact O-CB 3.25Å; L292-A295 PolarHBondContact O-N 3.37Å; E293-A295 VanDerWaalsContact C-N 3.34Å; A295-L299 WeakPolarHBondContact O-CB 3.2Å; A295-L299 PolarHBondContact O-N 3.14Å
296R90.6Very high85.8Confident10 Ų1064 Ų644%0.03830%0.301CS..Hα-helixtrans-63.9-46173.9-67.7-168.8-163.9133.72.8111.1Y274 I277 L292 E293 A298 L299 L300 F318Y274-R296 PolarHBondContact OH-NE 2.74Å; Y274-R296 PolarHBondContact OH-NH2 3.44Å; I277-R296 HydrophobicContact CD1-CG 3.85Å; L292-R296 WeakPolarHBondContact O-CG 3.33Å; L292-R296 PolarHBondContact O-N 2.8Å; E293-R296 PolarHBondContact O-N 2.94Å; E293-R296 IonicContact OE1-CZ 2.72Å; E293-R296 IonicContact OE1-NH1 3.97Å; E293-R296 PolarHBondContact OE1-NH1 3.14Å; E293-R296 IonicContact OE2-CZ 3.17Å; E293-R296 IonicContact OE2-NH1 2.7Å; E293-R296 PolarHBondContact OE2-NH1 3.14Å; R296-A298 PolarHBondContact O-N 3.01Å; R296-L299 WeakPolarHBondContact O-CB 3.37Å; R296-L299 PolarHBondContact O-N 2.91Å; R296-L300 VanDerWaalsContact O-CG 3.3Å; R296-L300 WeakPolarHBondContact O-CG 3.5Å; R296-L300 PolarHBondContact O-N 3.49Å; R296-F318 HydrophobicContact CB-CE1 4.35Å; R296-F318 HydrophobicContact CB-CZ 4.11Å; R296-F318 HydrophobicContact CG-CD1 4.27Å; R296-F318 HydrophobicContact CG-CE1 3.67Å; R296-F318 HydrophobicContact CG-CZ 3.91Å
297E91Very high84.6Confident66 Ų6662.9 Ų62.931%0.30830%0.296SS..Hα-helixtrans-61.8-45.2-179.6-166.372155.600112E293 E294 L299 L300 F301 K332 Y333E293-E297 WeakPolarHBondContact O-CB 3.46Å; E293-E297 PolarHBondContact O-N 2.9Å; E294-E297 PolarHBondContact O-N 3.38Å; E297-L299 VanDerWaalsContact C-N 3.33Å; E297-L299 PolarHBondContact O-N 3.48Å; E297-L300 PolarHBondContact O-N 3.34Å; E297-F301 WeakPolarHBondContact O-CB 3.46Å; E297-F301 PolarHBondContact O-N 3.5Å; E297-K332 WeakPolarHBondContact OE1-CE 3.19Å; E297-K332 IonicContact OE1-NZ 3.74Å; E297-K332 PolarHBondContact OE1-NZ 2.92Å; E297-K332 WeakPolarHBondContact OE2-CE 3.24Å; E297-K332 IonicContact OE2-NZ 2.93Å; E297-K332 PolarHBondContact OE2-NZ 3.02Å; E297-Y333 PolarHBondContact OE1-OH 2.78Å
298A88.5Confident83.7Confident30 Ų3063.6 Ų63.625%0.24830%0.299CS..Hα-helixtrans-64.9-36.3176.600000112.1L283 L286 E294 R296 R302L283-A298 HydrophobicContact CD2-CB 3.43Å; L283-A298 VanDerWaalsContact CD2-CB 3.43Å; L286-A298 HydrophobicContact CD1-CB 4.49Å; E294-A298 VanDerWaalsContact O-CB 3.29Å; E294-A298 WeakPolarHBondContact O-CB 3.25Å; E294-A298 PolarHBondContact O-N 3.32Å; R296-A298 PolarHBondContact O-N 3.01Å; A298-R302 WeakPolarHBondContact O-CB 3Å; A298-R302 VanDerWaalsContact O-CG 3.28Å; A298-R302 WeakPolarHBondContact O-CG 2.95Å; A298-R302 PolarHBondContact O-N 3.43Å; A298-R302 VanDerWaalsContact O-N 3.11Å
299L87.2Confident82.6Confident0 Ų066.1 Ų66.10%030%0.301CS..Hα-helixtrans-62-53.4172178.165.8000111.2G273 M276 I277 W280 L283 A295 R296 E297 F301 R302 L303 V316 F318G273-L299 VanDerWaalsContact O-CD2 3.3Å; G273-L299 WeakPolarHBondContact O-CD2 3.33Å; M276-L299 HydrophobicContact CB-CD1 3.62Å; M276-L299 HydrophobicContact CB-CD2 3.98Å; M276-L299 HydrophobicContact CB-CG 4.48Å; M276-L299 HydrophobicContact CG-CD1 4.39Å; I277-L299 HydrophobicContact CD1-CD2 4.47Å; I277-L299 HydrophobicContact CG1-CB 4.29Å; I277-L299 HydrophobicContact CG1-CD2 4.11Å; W280-L299 HydrophobicContact CE3-CD1 4.2Å; W280-L299 HydrophobicContact CH2-CD1 4.04Å; W280-L299 HydrophobicContact CZ3-CD1 3.65Å; L283-L299 HydrophobicContact CD1-CB 3.78Å; L283-L299 HydrophobicContact CD1-CD1 3.97Å; L283-L299 HydrophobicContact CD1-CG 4.46Å; A295-L299 WeakPolarHBondContact O-CB 3.2Å; A295-L299 PolarHBondContact O-N 3.14Å; R296-L299 WeakPolarHBondContact O-CB 3.37Å; R296-L299 PolarHBondContact O-N 2.91Å; E297-L299 VanDerWaalsContact C-N 3.33Å; E297-L299 PolarHBondContact O-N 3.48Å; L299-F301 VanDerWaalsContact C-N 3.28Å; L299-F301 PolarHBondContact O-N 3.01Å; L299-R302 PolarHBondContact O-N 2.82Å; L299-R302 VanDerWaalsContact O-N 3.09Å; L299-L303 HydrophobicContact CD1-CD1 3.82Å; L299-L303 HydrophobicContact CD1-CG 3.93Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 HydrophobicContact CG-CD1 3.76Å; L299-L303 HydrophobicContact CG-CG 4.22Å; L299-L303 PolarHBondContact O-N 3.39Å; L299-V316 HydrophobicContact CD2-CG1 4.28Å; L299-F318 HydrophobicContact CD2-CE1 4.18Å; L299-F318 HydrophobicContact CD2-CZ 4.07Å
300L89.4Confident81Confident1 Ų163.3 Ų63.31%0.00529%0.288CS..Hα-helixtrans-60.5-39.4-177.5-66.8177.6000111.3R296 E297 R302 S304 V316 F318 K332 Y333 L335 V337R296-L300 VanDerWaalsContact O-CG 3.3Å; R296-L300 WeakPolarHBondContact O-CG 3.5Å; R296-L300 PolarHBondContact O-N 3.49Å; E297-L300 PolarHBondContact O-N 3.34Å; L300-R302 PolarHBondContact O-N 3.26Å; L300-S304 VanDerWaalsContact O-CB 3.3Å; L300-S304 WeakPolarHBondContact O-CB 3.47Å; L300-S304 PolarHBondContact O-N 2.84Å; L300-S304 PolarHBondContact O-OG 3.15Å; L300-V316 HydrophobicContact CD2-CB 3.89Å; L300-V316 HydrophobicContact CD2-CG1 3.92Å; L300-V316 HydrophobicContact CD2-CG2 3.86Å; L300-F318 HydrophobicContact CD2-CE2 4.2Å; L300-F318 HydrophobicContact CD2-CZ 4.41Å; L300-K332 HydrophobicContact CD1-CD 3.97Å; L300-K332 HydrophobicContact CD1-CG 4.47Å; L300-Y333 HydrophobicContact CB-CD2 3.88Å; L300-Y333 HydrophobicContact CB-CE2 4.21Å; L300-L335 HydrophobicContact CB-CD1 4.23Å; L300-L335 HydrophobicContact CD2-CD1 3.94Å; L300-L335 WeakPolarHBondContact O-CD1 3.32Å; L300-V337 HydrophobicContact CD1-CG2 3.86Å; L300-V337 HydrophobicContact CD2-CG2 3.57Å; L300-V337 HydrophobicContact CG-CG2 4.37Å
301F87.1Confident79.7Confident109 Ų10956 Ų5648%0.47826%0.263SS..Hα-helixtrans-64.3-38.3174.9-176.6-100.8000112.9E297 L299 S304 N305 Y333E297-F301 WeakPolarHBondContact O-CB 3.46Å; E297-F301 PolarHBondContact O-N 3.5Å; L299-F301 VanDerWaalsContact C-N 3.28Å; L299-F301 PolarHBondContact O-N 3.01Å; F301-S304 PolarHBondContact O-OG 3.36Å; F301-N305 VanDerWaalsContact CE1-ND2 3.3Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.47Å; F301-N305 PolarHBondContact O-N 3.19Å; F301-N305 PolarHBondContact O-ND2 3.17Å; F301-N305 VanDerWaalsContact O-ND2 3.08Å; F301-Y333 HydrophobicContact CB-CE2 4.35Å; F301-Y333 HydrophobicContact CD2-CE1 4.46Å
302R81.5Confident78.5Confident94 Ų9453 Ų5336%0.35525%0.254SS..Hα-helixtrans-72.2-44.4177.1-74.3174.9-178.3-150.96.7112.1W280 E282 A298 L299 L300 S304 N305 Y306W280-R302 HydrophobicContact CH2-CB 4.04Å; W280-R302 HydrophobicContact CZ3-CB 3.67Å; W280-R302 HydrophobicContact CZ3-CG 4.13Å; E282-R302 IonicContact OE2-CZ 2.63Å; E282-R302 IonicContact OE2-NH1 3.01Å; E282-R302 PolarHBondContact OE2-NH1 2.89Å; E282-R302 IonicContact OE2-NH2 3.42Å; E282-R302 PolarHBondContact OE2-NH2 2.94Å; A298-R302 WeakPolarHBondContact O-CB 3Å; A298-R302 VanDerWaalsContact O-CG 3.28Å; A298-R302 WeakPolarHBondContact O-CG 2.95Å; A298-R302 PolarHBondContact O-N 3.43Å; A298-R302 VanDerWaalsContact O-N 3.11Å; L299-R302 PolarHBondContact O-N 2.82Å; L299-R302 VanDerWaalsContact O-N 3.09Å; L300-R302 PolarHBondContact O-N 3.26Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.92Å; R302-N305 PolarHBondContact O-N 3.06Å; R302-Y306 PolarHBondContact O-N 3.2Å
303L79Confident77.6Confident7 Ų757.2 Ų57.24%0.03727%0.273CS..Hα-helixtrans-64.1-35.6176.9-72.5177.3000111.4V271 L299 Y306 A307 V316 L335V271-L303 HydrophobicContact CB-CD1 4.23Å; V271-L303 HydrophobicContact CG1-CD1 3.88Å; V271-L303 HydrophobicContact CG2-CD1 4.3Å; V271-L303 HydrophobicContact CG2-CD2 4.34Å; L299-L303 HydrophobicContact CD1-CD1 3.82Å; L299-L303 HydrophobicContact CD1-CG 3.93Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 HydrophobicContact CG-CD1 3.76Å; L299-L303 HydrophobicContact CG-CG 4.22Å; L299-L303 PolarHBondContact O-N 3.39Å; L303-Y306 PolarHBondContact O-N 3.34Å; L303-A307 WeakPolarHBondContact O-CB 3.39Å; L303-A307 PolarHBondContact O-N 3.49Å; L303-V316 HydrophobicContact CD1-CG1 4.12Å; L303-V316 HydrophobicContact CD1-CG2 3.55Å; L303-L335 HydrophobicContact CB-CD1 3.81Å
304S81.4Confident77Confident14 Ų1451.3 Ų51.310%0.09825%0.245CC..Hα-helixtrans-66.7-40.817667.30000111.7L300 F301 R302 Y306 K308 Y333L300-S304 VanDerWaalsContact O-CB 3.3Å; L300-S304 WeakPolarHBondContact O-CB 3.47Å; L300-S304 PolarHBondContact O-N 2.84Å; L300-S304 PolarHBondContact O-OG 3.15Å; F301-S304 PolarHBondContact O-OG 3.36Å; R302-S304 VanDerWaalsContact C-N 3.29Å; R302-S304 PolarHBondContact O-N 2.92Å; S304-Y306 VanDerWaalsContact C-N 3.34Å; S304-Y306 PolarHBondContact O-N 3.4Å; S304-K308 WeakPolarHBondContact O-CB 3.41Å; S304-K308 PolarHBondContact O-N 3.45Å; S304-Y333 WeakPolarHBondContact CB-O 3.27Å
305N74.4Confident76.6Confident80 Ų8048 Ų4843%0.42823%0.23SC..Hα-helixtrans-61.5-42.8172.7-72-36.6000111.7F301 R302 Y309F301-N305 VanDerWaalsContact CE1-ND2 3.3Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.47Å; F301-N305 PolarHBondContact O-N 3.19Å; F301-N305 PolarHBondContact O-ND2 3.17Å; F301-N305 VanDerWaalsContact O-ND2 3.08Å; R302-N305 PolarHBondContact O-N 3.06Å; N305-Y309 VanDerWaalsContact O-CB 3.22Å; N305-Y309 WeakPolarHBondContact O-CB 3.1Å; N305-Y309 PolarHBondContact O-N 3.4Å
306Y68.5Low76.3Confident42 Ų4248 Ų4817%0.16523%0.23CC..Hα-helixtrans-66.6-49.6177.6-178.4-101.2000112.7L269 R302 L303 S304 K308 Y309 Q310 L312 M380 M397L269-Y306 HydrophobicContact CD2-CD1 4.31Å; L269-Y306 HydrophobicContact CD2-CE1 4.2Å; R302-Y306 PolarHBondContact O-N 3.2Å; L303-Y306 PolarHBondContact O-N 3.34Å; S304-Y306 VanDerWaalsContact C-N 3.34Å; S304-Y306 PolarHBondContact O-N 3.4Å; Y306-K308 VanDerWaalsContact C-N 3.3Å; Y306-K308 PolarHBondContact O-N 2.93Å; Y306-Y309 PolarHBondContact O-N 2.71Å; Y306-Y309 VanDerWaalsContact O-N 3.08Å; Y306-Q310 HydrophobicContact CD1-CG 4.32Å; Y306-Q310 HydrophobicContact CD2-CG 4.13Å; Y306-Q310 HydrophobicContact CE1-CG 3.91Å; Y306-Q310 HydrophobicContact CE2-CG 3.7Å; Y306-Q310 HydrophobicContact CG-CG 4.43Å; Y306-Q310 WeakPolarHBondContact O-CB 3.27Å; Y306-Q310 WeakPolarHBondContact O-CG 3.46Å; Y306-Q310 PolarHBondContact O-N 3.01Å; Y306-L312 HydrophobicContact CE1-CD1 4.1Å; Y306-M380 WeakPolarHBondContact OH-CE 3.37Å; Y306-M380 PolarHBondContact OH-SD 3.34Å; Y306-M397 HydrophobicContact CD2-CE 3.89Å; Y306-M397 HydrophobicContact CE2-CE 4.27Å
307A63.7Low76.1Confident8 Ų847.6 Ų47.67%0.06623%0.229CC..Hα-helixtrans-57.9-44.3176.800000110.9L303 Y309 Q310 G311 L312 T314 L335L303-A307 WeakPolarHBondContact O-CB 3.39Å; L303-A307 PolarHBondContact O-N 3.49Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 3.31Å; A307-Q310 PolarHBondContact O-N 3.47Å; A307-G311 WeakPolarHBondContact O-CA 3.44Å; A307-G311 PolarHBondContact O-N 3.47Å; A307-L312 PolarHBondContact O-N 3.22Å; A307-T314 VanDerWaalsContact CB-OG1 3.27Å; A307-T314 WeakPolarHBondContact CB-OG1 3.44Å; A307-L335 HydrophobicContact CB-CD2 3.92Å
308K66.5Low75.9Confident108 Ų10844.4 Ų44.447%0.4721%0.214SC..Hα-helixtrans-66.6-31.6175.3-175.6175-179.3175.50112.9K217 S304 Y306K217-K308 HydrophobicContact CD-CG 4.39Å; K217-K308 VanDerWaalsContact CE-CG 3.48Å; K217-K308 WeakPolarHBondContact CE-O 3.37Å; K217-K308 PolarHBondContact NZ-O 3.22Å; S304-K308 WeakPolarHBondContact O-CB 3.41Å; S304-K308 PolarHBondContact O-N 3.45Å; Y306-K308 VanDerWaalsContact C-N 3.3Å; Y306-K308 PolarHBondContact O-N 2.93Å
309Y65.1Low75.7Confident177 Ų17744.6 Ų44.669%0.69421%0.211SC*.Hα-helixtrans-77.1-38.3176.9178.3-95.3000112.1N305 Y306 A307N305-Y309 VanDerWaalsContact O-CB 3.22Å; N305-Y309 WeakPolarHBondContact O-CB 3.1Å; N305-Y309 PolarHBondContact O-N 3.4Å; Y306-Y309 PolarHBondContact O-N 2.71Å; Y306-Y309 VanDerWaalsContact O-N 3.08Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 3.31Å
310Q58.4Low74.8Confident53 Ų5345.4 Ų45.425%0.24822%0.218CC..Hα-helixtrans-90.3-14-178.3-64.5-65.6-21.900114.3R214 Y306 A307 L312R214-Q310 CarbonylContact O-C 3.56Å; Y306-Q310 HydrophobicContact CD1-CG 4.32Å; Y306-Q310 HydrophobicContact CD2-CG 4.13Å; Y306-Q310 HydrophobicContact CE1-CG 3.91Å; Y306-Q310 HydrophobicContact CE2-CG 3.7Å; Y306-Q310 HydrophobicContact CG-CG 4.43Å; Y306-Q310 WeakPolarHBondContact O-CB 3.27Å; Y306-Q310 WeakPolarHBondContact O-CG 3.46Å; Y306-Q310 PolarHBondContact O-N 3.01Å; A307-Q310 PolarHBondContact O-N 3.47Å; Q310-L312 HydrophobicContact CB-CD1 3.69Å; Q310-L312 HydrophobicContact CB-CG 3.74Å; Q310-L312 HydrophobicContact CG-CD1 4.35Å
311G59.1Low73.4Confident34 Ų3451.2 Ų51.235%0.35125%0.245SC..THydrogen-bonded Turntrans73.336-175.900000113.4R214 A307R214-G311 WeakPolarHBondContact O-CA 3.22Å; R214-G311 PolarHBondContact O-N 2.87Å; A307-G311 WeakPolarHBondContact O-CA 3.44Å; A307-G311 PolarHBondContact O-N 3.47Å
312L62.8Low71.8Confident34 Ų3452.6 Ų52.618%0.17825%0.251CS..  trans-102.6128-175.5-61.6171.5000110.6Q267 L269 Y306 A307 Q310 T314Q267-L312 HydrophobicContact CB-CD2 4.26Å; L269-L312 HydrophobicContact CB-CB 4.16Å; L269-L312 HydrophobicContact CB-CD1 4.26Å; L269-L312 HydrophobicContact CD2-CD1 4.01Å; Y306-L312 HydrophobicContact CE1-CD1 4.1Å; A307-L312 PolarHBondContact O-N 3.22Å; Q310-L312 HydrophobicContact CB-CD1 3.69Å; Q310-L312 HydrophobicContact CB-CG 3.74Å; Q310-L312 HydrophobicContact CG-CD1 4.35Å; L312-T314 PolarHBondContact O-N 2.83Å; L312-T314 PolarHBondContact O-OG1 3.47Å
313E69.6Low70.5Confident119 Ų11950 Ų5056%0.55625%0.246SC*.EExtended strand (participates in β ladder)trans-63.1131160-171.1-175.917200107.4Q267 L268 L269Q267-E313 PolarHBondContact O-N 3.3Å; L268-E313 CarbonylContact C-O 3.59Å; L268-E313 WeakPolarHBondContact CA-O 3.08Å; L268-E313 HydrophobicContact CD1-CB 3.74Å; L268-E313 HydrophobicContact CD1-CG 3.55Å; L269-E313 PolarHBondContact N-O 3.26Å
314T73.1Confident69Low1 Ų154.9 Ų54.91%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-132.5126.1-171.2-58.60000111.9L269 V271 A307 L312 V316 L335 T336L269-T314 HydrophobicContact CB-CG2 4.26Å; L269-T314 HydrophobicContact CD2-CG2 3.88Å; L269-T314 HydrophobicContact CG-CG2 4.08Å; L269-T314 CarbonylContact O-C 3.56Å; L269-T314 VanDerWaalsContact O-CA 3.25Å; L269-T314 WeakPolarHBondContact O-CA 3.48Å; V271-T314 HydrophobicContact CG2-CG2 4.11Å; A307-T314 VanDerWaalsContact CB-OG1 3.27Å; A307-T314 WeakPolarHBondContact CB-OG1 3.44Å; L312-T314 PolarHBondContact O-N 2.83Å; L312-T314 PolarHBondContact O-OG1 3.47Å; T314-V316 HydrophobicContact CG2-CG2 4.24Å; T314-L335 HydrophobicContact CG2-CD2 3.81Å; T314-T336 PolarHBondContact O-N 2.91Å
315I81.9Confident68Low22 Ų2256.1 Ų56.111%0.11329%0.292CS..EExtended strand (participates in β ladder)trans-104.7125.1172.8-53.9176.4000108.7L268 L269 I270 V271 V317 T336 V338L268-I315 HydrophobicContact CD1-CD1 3.97Å; L268-I315 HydrophobicContact CD1-CG1 3.92Å; L268-I315 HydrophobicContact CD2-CD1 3.98Å; L268-I315 HydrophobicContact CG-CD1 4.37Å; L269-I315 PolarHBondContact O-N 3.24Å; I270-I315 CarbonylContact C-O 3.5Å; I270-I315 WeakPolarHBondContact CA-O 3.1Å; I270-I315 HydrophobicContact CG1-CB 4.36Å; I270-I315 HydrophobicContact CG1-CD1 4.37Å; I270-I315 HydrophobicContact CG2-CB 4.33Å; V271-I315 PolarHBondContact N-O 3.37Å; I315-V317 HydrophobicContact CG2-CG2 3.96Å; I315-T336 CarbonylContact C-O 3.56Å; I315-T336 VanDerWaalsContact CA-O 3.24Å; I315-T336 WeakPolarHBondContact CA-O 3.34Å; I315-T336 HydrophobicContact CG1-CG2 4.42Å; I315-T336 HydrophobicContact CG2-CG2 4.34Å; I315-V338 HydrophobicContact CG2-CG2 3.82Å
316V84.1Confident67.3Low0 Ų059.5 Ų59.50%031%0.309CS..EExtended strand (participates in β ladder)trans-109.9116.4175-1710000109V271 L299 L300 L303 T314 F318 L335 T336 V337 V338V271-V316 CarbonylContact O-C 3.6Å; V271-V316 WeakPolarHBondContact O-CA 3.34Å; L299-V316 HydrophobicContact CD2-CG1 4.28Å; L300-V316 HydrophobicContact CD2-CB 3.89Å; L300-V316 HydrophobicContact CD2-CG1 3.92Å; L300-V316 HydrophobicContact CD2-CG2 3.86Å; L303-V316 HydrophobicContact CD1-CG1 4.12Å; L303-V316 HydrophobicContact CD1-CG2 3.55Å; T314-V316 HydrophobicContact CG2-CG2 4.24Å; V316-F318 HydrophobicContact CB-CE2 4.47Å; V316-F318 HydrophobicContact CG1-CD2 4.39Å; V316-F318 HydrophobicContact CG1-CE2 3.69Å; V316-F318 HydrophobicContact CG1-CZ 3.81Å; V316-L335 HydrophobicContact CG2-CB 4.38Å; V316-L335 HydrophobicContact CG2-CD1 4.04Å; V316-T336 PolarHBondContact N-O 2.87Å; V316-V337 CarbonylContact O-C 3.47Å; V316-V337 WeakPolarHBondContact O-CA 3.18Å; V316-V338 PolarHBondContact O-N 2.88Å
317V86.2Confident67.2Low0 Ų059.9 Ų59.90%032%0.316CS..EExtended strand (participates in β ladder)trans-105126.1-174.3-172.40000109.7I270 V271 G273 I315 V338 T340 A346 Y349 I350I270-V317 HydrophobicContact CG2-CG2 4.08Å; V271-V317 PolarHBondContact O-N 2.95Å; G273-V317 PolarHBondContact N-O 2.81Å; I315-V317 HydrophobicContact CG2-CG2 3.96Å; V317-V338 CarbonylContact C-O 3.49Å; V317-V338 WeakPolarHBondContact CA-O 3.47Å; V317-V338 HydrophobicContact CG2-CB 4.45Å; V317-T340 HydrophobicContact CG1-CG2 3.61Å; V317-A346 HydrophobicContact CB-CB 4.37Å; V317-A346 HydrophobicContact CG1-CB 3.85Å; V317-Y349 HydrophobicContact CB-CD1 4.36Å; V317-Y349 HydrophobicContact CG1-CD1 3.64Å; V317-Y349 HydrophobicContact CG1-CE1 4.32Å; V317-Y349 HydrophobicContact CG1-CG 4.03Å; V317-Y349 HydrophobicContact CG2-CD1 3.73Å; V317-Y349 HydrophobicContact CG2-CE1 3.88Å; V317-I350 HydrophobicContact CB-CD1 4.24Å; V317-I350 HydrophobicContact CB-CG1 4.15Å; V317-I350 HydrophobicContact CG1-CG1 4.49Å; V317-I350 HydrophobicContact CG2-CD1 4.35Å; V317-I350 HydrophobicContact CG2-CG1 3.89Å
318F87.1Confident67.8Low0 Ų064 Ų640%033%0.334CS..EExtended strand (participates in β ladder)trans-115.2139.3173-64.9-79.7000109.9G273 Y274 I277 R296 L299 L300 V316 V337 V338 F339 T340G273-F318 VanDerWaalsContact CA-CE1 3.46Å; Y274-F318 HydrophobicContact CD1-CD1 4.18Å; Y274-F318 HydrophobicContact CD2-CD1 4.38Å; Y274-F318 HydrophobicContact CE1-CD1 4.07Å; Y274-F318 HydrophobicContact CE2-CB 4.08Å; Y274-F318 HydrophobicContact CE2-CD1 4.29Å; Y274-F318 HydrophobicContact CG-CD1 4.32Å; I277-F318 HydrophobicContact CD1-CE1 3.98Å; R296-F318 HydrophobicContact CB-CE1 4.35Å; R296-F318 HydrophobicContact CB-CZ 4.11Å; R296-F318 HydrophobicContact CG-CD1 4.27Å; R296-F318 HydrophobicContact CG-CE1 3.67Å; R296-F318 HydrophobicContact CG-CZ 3.91Å; L299-F318 HydrophobicContact CD2-CE1 4.18Å; L299-F318 HydrophobicContact CD2-CZ 4.07Å; L300-F318 HydrophobicContact CD2-CE2 4.2Å; L300-F318 HydrophobicContact CD2-CZ 4.41Å; V316-F318 HydrophobicContact CB-CE2 4.47Å; V316-F318 HydrophobicContact CG1-CD2 4.39Å; V316-F318 HydrophobicContact CG1-CE2 3.69Å; V316-F318 HydrophobicContact CG1-CZ 3.81Å; F318-V337 HydrophobicContact CD2-CG1 3.72Å; F318-V337 HydrophobicContact CE2-CG1 3.64Å; F318-V338 PolarHBondContact N-O 3.18Å; F318-F339 HydrophobicContact CB-CD1 3.69Å; F318-F339 HydrophobicContact CB-CE1 3.55Å; F318-F339 HydrophobicContact CB-CG 4.32Å; F318-F339 HydrophobicContact CB-CZ 4.06Å; F318-F339 HydrophobicContact CD2-CE1 4.24Å; F318-F339 HydrophobicContact CD2-CE2 4.07Å; F318-F339 AromaticContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CG-CE1 4.04Å; F318-F339 HydrophobicContact CG-CZ 4.1Å; F318-F339 WeakPolarHBondContact O-CA 3.36Å; F318-T340 PolarHBondContact O-N 3.13Å
319D82.6Confident68.5Low33 Ų3362.6 Ų62.618%0.17634%0.337CS..  trans-60.1139.1167.2-61-55000110.6Y274 Q321 T340 T345 A346Y274-D319 HydrophobicContact CD2-CB 3.99Å; Y274-D319 HydrophobicContact CE2-CB 3.8Å; Y274-D319 WeakPolarHBondContact CE2-O 3.34Å; Y274-D319 PolarHBondContact OH-O 2.84Å; D319-Q321 HydrophobicContact CB-CG 4.16Å; D319-Q321 PolarHBondContact O-N 3.19Å; D319-T340 WeakPolarHBondContact CA-OG1 3.46Å; D319-T345 VanDerWaalsContact OD1-C 3.26Å; D319-T345 WeakPolarHBondContact OD1-CA 3.35Å; D319-A346 WeakPolarHBondContact OD1-CB 3.11Å; D319-A346 PolarHBondContact OD1-N 2.89Å
320A69.9Low69.5Low18 Ų1858.3 Ų58.315%0.14932%0.32CS..  trans-70.670.7164.100000111.1F322 T340A320-F322 VanDerWaalsContact C-N 3.29Å; A320-T340 WeakPolarHBondContact CB-O 3.41Å; A320-T340 PolarHBondContact N-OG1 3.32Å; A320-T340 VanDerWaalsContact N-OG1 3.14Å
321Q58.7Low70.8Confident123 Ų12361.6 Ų61.658%0.57534%0.336SS*.SBendtrans-78.5-15.3167.1-76.2-173.9-7.400112.4D319D319-Q321 HydrophobicContact CB-CG 4.16Å; D319-Q321 PolarHBondContact O-N 3.19Å
322F54.5Low72.1Confident137 Ų13763.1 Ų63.160%0.60133%0.332SS*.SBendtrans-144.48.5-169.1-58.9-73.5000115.3L292 A320L292-F322 HydrophobicContact CD2-CD2 4.03Å; L292-F322 HydrophobicContact CD2-CE2 3.65Å; A320-F322 VanDerWaalsContact C-N 3.29Å
323V53.6Low73.1Confident41 Ų4165.8 Ų65.825%0.24834%0.341CS..  trans-126.9103.8-178.8-170.80000109.4G325 F339V323-G325 PolarHBondContact O-N 3.42Å; V323-F339 HydrophobicContact CG2-CD1 4.34Å
324P48.5Very low73.5Confident109 Ų10965.9 Ų65.971%0.70834%0.341SS*.  trans-67.6126.8175.224.5-29.9000110.1
325G59.2Low74Confident39 Ų3965.9 Ų65.940%0.40234%0.341SS..SBendtrans137-158.6169.800000117V323V323-G325 PolarHBondContact O-N 3.42Å
326I60.3Low74.2Confident151 Ų15165.9 Ų65.977%0.77434%0.342SS*.SBendtrans-71.1151.5178.5-54.6167.2000108.8Q328I326-Q328 WeakPolarHBondContact O-CG 3.38Å; I326-Q328 PolarHBondContact O-N 2.96Å; I326-Q328 VanDerWaalsContact O-N 3.14Å
327T65.5Low74.4Confident51 Ų5165.9 Ų65.931%0.31334%0.342SS..  trans-41.2121.1169.1-540000110.7V338 F339 Y349T327-V338 HydrophobicContact CG2-CG1 3.67Å; T327-F339 CarbonylContact C-O 3.6Å; T327-F339 VanDerWaalsContact CA-O 3.25Å; T327-F339 WeakPolarHBondContact CA-O 3.45Å; T327-F339 VanDerWaalsContact CG2-O 3.25Å; T327-F339 WeakPolarHBondContact CG2-O 3.44Å; T327-Y349 HydrophobicContact CG2-CE2 4.14Å
328Q76.8Confident74.5Confident95 Ų9566 Ų6644%0.44434%0.343SS..EExtended strand (participates in β ladder)trans-101.7133175.7-61.8-171.13.200108.9I326 V338 F339I326-Q328 WeakPolarHBondContact O-CG 3.38Å; I326-Q328 PolarHBondContact O-N 2.96Å; I326-Q328 VanDerWaalsContact O-N 3.14Å; Q328-V338 CarbonylContact O-C 3.56Å; Q328-V338 WeakPolarHBondContact O-CA 3.48Å; Q328-F339 HydrophobicContact CB-CB 4.43Å; Q328-F339 PolarHBondContact N-O 2.63Å; Q328-F339 PolarHBondContact O-N 3.1Å
329S82.2Confident74.5Confident77 Ų7766.5 Ų66.554%0.53835%0.345SS..EExtended strand (participates in β ladder)trans-125.7134.1171.7-178.80000109.2V337S329-V337 CarbonylContact C-O 3.6Å; S329-V337 VanDerWaalsContact CA-O 3.26Å; S329-V337 WeakPolarHBondContact CA-O 3.29Å
330Y86.4Confident74.6Confident87 Ų8765 Ų6534%0.34134%0.337SS..EExtended strand (participates in β ladder)trans-142.7157.317363.7-95.2000110.8K332 V337 F339Y330-K332 HydrophobicContact CD2-CB 3.94Å; Y330-K332 HydrophobicContact CE2-CB 3.68Å; Y330-K332 HydrophobicContact CE2-CD 3.97Å; Y330-K332 HydrophobicContact CE2-CG 4.46Å; Y330-V337 HydrophobicContact CD1-CB 4.43Å; Y330-V337 HydrophobicContact CD2-CB 4.07Å; Y330-V337 HydrophobicContact CD2-CG2 4.38Å; Y330-V337 HydrophobicContact CE1-CB 4.09Å; Y330-V337 HydrophobicContact CE1-CG1 3.95Å; Y330-V337 HydrophobicContact CE2-CB 3.65Å; Y330-V337 HydrophobicContact CE2-CG1 4.08Å; Y330-V337 HydrophobicContact CE2-CG2 3.82Å; Y330-V337 HydrophobicContact CG-CB 4.44Å; Y330-V337 PolarHBondContact N-O 2.81Å; Y330-V337 PolarHBondContact O-N 2.97Å; Y330-V337 WeakPolarHBondContact OH-CG1 3.39Å; Y330-F339 AromaticContact CE1-CD2 3.94Å; Y330-F339 HydrophobicContact CE1-CD2 3.94Å; Y330-F339 AromaticContact CE1-CE2 3.63Å; Y330-F339 HydrophobicContact CE1-CE2 3.63Å
331Q84.8Confident75.3Confident123 Ų12369.1 Ų69.158%0.57535%0.352SS*.EExtended strand (participates in β ladder)trans-89.9130.4174.8-69.1-62.1-30.400110.4L335 T336Q331-L335 WeakPolarHBondContact CA-O 3.43Å; Q331-L335 VanDerWaalsContact OE1-C 3.29Å; Q331-L335 PolarHBondContact OE1-O 3.13Å; Q331-L335 VanDerWaalsContact OE1-O 3.09Å; Q331-T336 PolarHBondContact NE2-OG1 2.74Å
332K86Confident75.9Confident65 Ų6569.9 Ų69.928%0.28336%0.355SS..EExtended strand (participates in β ladder)trans-147.6129.6173.3-170.7165.2-169.1175.80111.4E297 L300 Y330 Q334 L335 V337E297-K332 WeakPolarHBondContact OE1-CE 3.19Å; E297-K332 IonicContact OE1-NZ 3.74Å; E297-K332 PolarHBondContact OE1-NZ 2.92Å; E297-K332 WeakPolarHBondContact OE2-CE 3.24Å; E297-K332 IonicContact OE2-NZ 2.93Å; E297-K332 PolarHBondContact OE2-NZ 3.02Å; L300-K332 HydrophobicContact CD1-CD 3.97Å; L300-K332 HydrophobicContact CD1-CG 4.47Å; Y330-K332 HydrophobicContact CD2-CB 3.94Å; Y330-K332 HydrophobicContact CE2-CB 3.68Å; Y330-K332 HydrophobicContact CE2-CD 3.97Å; Y330-K332 HydrophobicContact CE2-CG 4.46Å; K332-Q334 PolarHBondContact O-N 2.92Å; K332-L335 PolarHBondContact N-O 3.08Å; K332-L335 WeakPolarHBondContact O-CA 2.98Å; K332-L335 VanDerWaalsContact O-CB 3.25Å; K332-L335 WeakPolarHBondContact O-CB 3.39Å; K332-L335 PolarHBondContact O-N 2.98Å; K332-V337 HydrophobicContact CB-CG2 4.13Å
333Y85.1Confident77Confident91 Ų9171 Ų7136%0.35737%0.367SS..THydrogen-bonded Turntrans51.137.3-174.9-52.9-60.9000113.8E297 L300 F301 S304 L335E297-Y333 PolarHBondContact OE1-OH 2.78Å; L300-Y333 HydrophobicContact CB-CD2 3.88Å; L300-Y333 HydrophobicContact CB-CE2 4.21Å; F301-Y333 HydrophobicContact CB-CE2 4.35Å; F301-Y333 HydrophobicContact CD2-CE1 4.46Å; S304-Y333 WeakPolarHBondContact CB-O 3.27Å; Y333-L335 PolarHBondContact O-N 3.48Å
334Q76.8Confident78.3Confident121 Ų12170 Ų7057%0.56536%0.36SS*.THydrogen-bonded Turntrans6221-174.3-56.2174.4-30.500114.1E219 K332E219-Q334 PolarHBondContact OE1-NE2 2.77Å; E219-Q334 VanDerWaalsContact OE1-NE2 3.14Å; K332-Q334 PolarHBondContact O-N 2.92Å
335L83.4Confident80Confident1 Ų168.2 Ų68.21%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-107.6140.8170-51.4173.9000109.1L300 L303 A307 T314 V316 Q331 K332 Y333 V337L300-L335 HydrophobicContact CB-CD1 4.23Å; L300-L335 HydrophobicContact CD2-CD1 3.94Å; L300-L335 WeakPolarHBondContact O-CD1 3.32Å; L303-L335 HydrophobicContact CB-CD1 3.81Å; A307-L335 HydrophobicContact CB-CD2 3.92Å; T314-L335 HydrophobicContact CG2-CD2 3.81Å; V316-L335 HydrophobicContact CG2-CB 4.38Å; V316-L335 HydrophobicContact CG2-CD1 4.04Å; Q331-L335 WeakPolarHBondContact CA-O 3.43Å; Q331-L335 VanDerWaalsContact OE1-C 3.29Å; Q331-L335 PolarHBondContact OE1-O 3.13Å; Q331-L335 VanDerWaalsContact OE1-O 3.09Å; K332-L335 PolarHBondContact N-O 3.08Å; K332-L335 WeakPolarHBondContact O-CA 2.98Å; K332-L335 VanDerWaalsContact O-CB 3.25Å; K332-L335 WeakPolarHBondContact O-CB 3.39Å; K332-L335 PolarHBondContact O-N 2.98Å; Y333-L335 PolarHBondContact O-N 3.48Å; L335-V337 PolarHBondContact O-N 2.85Å
336T86.1Confident80.9Confident21 Ų2166.4 Ų66.413%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-79.7111.5166.2-580000108T314 I315 V316 Q331 V338T314-T336 PolarHBondContact O-N 2.91Å; I315-T336 CarbonylContact C-O 3.56Å; I315-T336 VanDerWaalsContact CA-O 3.24Å; I315-T336 WeakPolarHBondContact CA-O 3.34Å; I315-T336 HydrophobicContact CG1-CG2 4.42Å; I315-T336 HydrophobicContact CG2-CG2 4.34Å; V316-T336 PolarHBondContact N-O 2.87Å; Q331-T336 PolarHBondContact NE2-OG1 2.74Å; T336-V338 HydrophobicContact CG2-CG2 4.09Å
337V89.3Confident81.6Confident0 Ų061.9 Ų61.90%031%0.306CS..EExtended strand (participates in β ladder)trans-99.3122.8177-173.90000109.1L300 V316 F318 S329 Y330 K332 L335 F339L300-V337 HydrophobicContact CD1-CG2 3.86Å; L300-V337 HydrophobicContact CD2-CG2 3.57Å; L300-V337 HydrophobicContact CG-CG2 4.37Å; V316-V337 CarbonylContact O-C 3.47Å; V316-V337 WeakPolarHBondContact O-CA 3.18Å; F318-V337 HydrophobicContact CD2-CG1 3.72Å; F318-V337 HydrophobicContact CE2-CG1 3.64Å; S329-V337 CarbonylContact C-O 3.6Å; S329-V337 VanDerWaalsContact CA-O 3.26Å; S329-V337 WeakPolarHBondContact CA-O 3.29Å; Y330-V337 HydrophobicContact CD1-CB 4.43Å; Y330-V337 HydrophobicContact CD2-CB 4.07Å; Y330-V337 HydrophobicContact CD2-CG2 4.38Å; Y330-V337 HydrophobicContact CE1-CB 4.09Å; Y330-V337 HydrophobicContact CE1-CG1 3.95Å; Y330-V337 HydrophobicContact CE2-CB 3.65Å; Y330-V337 HydrophobicContact CE2-CG1 4.08Å; Y330-V337 HydrophobicContact CE2-CG2 3.82Å; Y330-V337 HydrophobicContact CG-CB 4.44Å; Y330-V337 PolarHBondContact N-O 2.81Å; Y330-V337 PolarHBondContact O-N 2.97Å; Y330-V337 WeakPolarHBondContact OH-CG1 3.39Å; K332-V337 HydrophobicContact CB-CG2 4.13Å; L335-V337 PolarHBondContact O-N 2.85Å; V337-F339 HydrophobicContact CG1-CD2 4.4Å; V337-F339 HydrophobicContact CG1-CE2 3.95Å
338V87.4Confident82.3Confident2 Ų261.5 Ų61.51%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-115.8127.9-179.7-179.10000109.6I315 V316 V317 F318 T327 Q328 T336 Y349I315-V338 HydrophobicContact CG2-CG2 3.82Å; V316-V338 PolarHBondContact O-N 2.88Å; V317-V338 CarbonylContact C-O 3.49Å; V317-V338 WeakPolarHBondContact CA-O 3.47Å; V317-V338 HydrophobicContact CG2-CB 4.45Å; F318-V338 PolarHBondContact N-O 3.18Å; T327-V338 HydrophobicContact CG2-CG1 3.67Å; Q328-V338 CarbonylContact O-C 3.56Å; Q328-V338 WeakPolarHBondContact O-CA 3.48Å; T336-V338 HydrophobicContact CG2-CG2 4.09Å; V338-Y349 HydrophobicContact CB-CE1 4.47Å; V338-Y349 HydrophobicContact CG1-CE1 4.04Å; V338-Y349 HydrophobicContact CG1-CE2 3.91Å
339F88.2Confident82.4Confident11 Ų1158.3 Ų58.35%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-99.3124.2160.7-73.9-94.8000108F318 V323 T327 Q328 Y330 V337F318-F339 HydrophobicContact CB-CD1 3.69Å; F318-F339 HydrophobicContact CB-CE1 3.55Å; F318-F339 HydrophobicContact CB-CG 4.32Å; F318-F339 HydrophobicContact CB-CZ 4.06Å; F318-F339 HydrophobicContact CD2-CE1 4.24Å; F318-F339 HydrophobicContact CD2-CE2 4.07Å; F318-F339 AromaticContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CD2-CZ 3.85Å; F318-F339 HydrophobicContact CG-CE1 4.04Å; F318-F339 HydrophobicContact CG-CZ 4.1Å; F318-F339 WeakPolarHBondContact O-CA 3.36Å; V323-F339 HydrophobicContact CG2-CD1 4.34Å; T327-F339 CarbonylContact C-O 3.6Å; T327-F339 VanDerWaalsContact CA-O 3.25Å; T327-F339 WeakPolarHBondContact CA-O 3.45Å; T327-F339 VanDerWaalsContact CG2-O 3.25Å; T327-F339 WeakPolarHBondContact CG2-O 3.44Å; Q328-F339 HydrophobicContact CB-CB 4.43Å; Q328-F339 PolarHBondContact N-O 2.63Å; Q328-F339 PolarHBondContact O-N 3.1Å; Y330-F339 AromaticContact CE1-CD2 3.94Å; Y330-F339 HydrophobicContact CE1-CD2 3.94Å; Y330-F339 AromaticContact CE1-CE2 3.63Å; Y330-F339 HydrophobicContact CE1-CE2 3.63Å; V337-F339 HydrophobicContact CG1-CD2 4.4Å; V337-F339 HydrophobicContact CG1-CE2 3.95Å
340T84.8Confident82Confident3 Ų354.9 Ų54.92%0.01827%0.265CS..PPolyproline II helixtrans-64.3173178.362.10000111.4V317 F318 D319 A320 E344 Y349V317-T340 HydrophobicContact CG1-CG2 3.61Å; F318-T340 PolarHBondContact O-N 3.13Å; D319-T340 WeakPolarHBondContact CA-OG1 3.46Å; A320-T340 WeakPolarHBondContact CB-O 3.41Å; A320-T340 PolarHBondContact N-OG1 3.32Å; A320-T340 VanDerWaalsContact N-OG1 3.14Å; T340-E344 WeakPolarHBondContact CB-O 3.39Å; T340-E344 PolarHBondContact OG1-O 2.91Å; T340-Y349 HydrophobicContact CG2-CD2 4.07Å; T340-Y349 HydrophobicContact CG2-CG 3.9Å
341K83.3Confident81.1Confident103 Ų10356.3 Ų56.345%0.44828%0.275SS..PPolyproline II helixtrans-78.9164.1170.459.5-179.6176.81790110.7D343 E344K341-D343 PolarHBondContact O-N 3.25Å; K341-E344 HydrophobicContact CD-CB 4.35Å; K341-E344 HydrophobicContact CG-CB 3.57Å; K341-E344 PolarHBondContact O-N 3.04Å
342E72.7Confident80.7Confident140 Ų14054.7 Ų54.765%0.65426%0.263SS*.THydrogen-bonded Turntrans-53.9-21.1-174-162.9168.9174.700115.3
343D77.7Confident79.8Confident159 Ų15952.9 Ų52.985%0.8526%0.256SS*.THydrogen-bonded Turntrans-115.811.6179.8-59.4-52.1000114.5K341K341-D343 PolarHBondContact O-N 3.25Å
344E80.9Confident78.7Confident20 Ų2049.1 Ų49.19%0.09324%0.244CC..  trans-119121.4-179.8-170.7177.9-147.600109.8T340 K341 S348 Y349 R352T340-E344 WeakPolarHBondContact CB-O 3.39Å; T340-E344 PolarHBondContact OG1-O 2.91Å; K341-E344 HydrophobicContact CD-CB 4.35Å; K341-E344 HydrophobicContact CG-CB 3.57Å; K341-E344 PolarHBondContact O-N 3.04Å; E344-S348 VanDerWaalsContact CG-OG 3.32Å; E344-S348 WeakPolarHBondContact CG-OG 3.46Å; E344-Y349 WeakPolarHBondContact OE2-CD2 3.24Å; E344-R352 IonicContact OE1-CZ 3.93Å; E344-R352 IonicContact OE1-NE 3.95Å; E344-R352 PolarHBondContact OE1-NE 3.37Å; E344-R352 IonicContact OE1-NH2 2.58Å
345T83.5Confident77.7Confident73 Ų7344.5 Ų44.545%0.44823%0.229SC..  trans-73.9154.4170.765.40000110.5D319 D347 S348 Y349D319-T345 VanDerWaalsContact OD1-C 3.26Å; D319-T345 WeakPolarHBondContact OD1-CA 3.35Å; T345-D347 PolarHBondContact O-N 3.18Å; T345-S348 WeakPolarHBondContact CA-OG 3.24Å; T345-S348 PolarHBondContact N-OG 3.36Å; T345-S348 CarbonylContact O-C 3.56Å; T345-S348 PolarHBondContact O-N 3Å; T345-S348 PolarHBondContact O-OG 3.49Å; T345-S348 WeakPolarHBondContact OG1-CB 3.29Å; T345-S348 PolarHBondContact OG1-N 3.17Å; T345-S348 PolarHBondContact OG1-OG 3.24Å; T345-Y349 PolarHBondContact O-N 2.87Å
346A78.4Confident76.6Confident0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-57.7-40.4173.300000109V317 D319 S348 Y349 I350V317-A346 HydrophobicContact CB-CB 4.37Å; V317-A346 HydrophobicContact CG1-CB 3.85Å; D319-A346 WeakPolarHBondContact OD1-CB 3.11Å; D319-A346 PolarHBondContact OD1-N 2.89Å; A346-S348 PolarHBondContact O-N 3.44Å; A346-Y349 PolarHBondContact O-N 3.1Å; A346-I350 WeakPolarHBondContact O-CB 3.39Å; A346-I350 WeakPolarHBondContact O-CD1 3.19Å; A346-I350 WeakPolarHBondContact O-CG1 3.31Å; A346-I350 PolarHBondContact O-N 3.27Å
347D74.7Confident75.2Confident56 Ų5649 Ų4930%0.29925%0.25SS..Hα-helixtrans-54.1-53.1170.8-79.8-32.2000112.1T345 Y349 I350 E351 K375T345-D347 PolarHBondContact O-N 3.18Å; D347-Y349 PolarHBondContact O-N 3.28Å; D347-I350 PolarHBondContact O-N 2.91Å; D347-E351 WeakPolarHBondContact O-CB 3.44Å; D347-E351 VanDerWaalsContact O-CG 3.29Å; D347-E351 WeakPolarHBondContact O-CG 3.37Å; D347-E351 PolarHBondContact O-N 3.47Å; D347-K375 VanDerWaalsContact CG-NZ 3.32Å; D347-K375 WeakPolarHBondContact OD1-CD 3.26Å; D347-K375 WeakPolarHBondContact OD1-CE 3.49Å; D347-K375 IonicContact OD1-NZ 2.64Å; D347-K375 PolarHBondContact OD1-NZ 2.87Å; D347-K375 IonicContact OD2-NZ 3.47Å
348S79.5Confident73.2Confident43 Ų4350.7 Ų50.730%0.30126%0.259SS..Hα-helixtrans-66.6-35.7178.8540000113.5E344 T345 A346 R352E344-S348 VanDerWaalsContact CG-OG 3.32Å; E344-S348 WeakPolarHBondContact CG-OG 3.46Å; T345-S348 WeakPolarHBondContact CA-OG 3.24Å; T345-S348 PolarHBondContact N-OG 3.36Å; T345-S348 CarbonylContact O-C 3.56Å; T345-S348 PolarHBondContact O-N 3Å; T345-S348 PolarHBondContact O-OG 3.49Å; T345-S348 WeakPolarHBondContact OG1-CB 3.29Å; T345-S348 PolarHBondContact OG1-N 3.17Å; T345-S348 PolarHBondContact OG1-OG 3.24Å; A346-S348 PolarHBondContact O-N 3.44Å; S348-R352 WeakPolarHBondContact O-CB 3.34Å; S348-R352 PolarHBondContact O-N 3.25Å
349Y79.4Confident71.1Confident29 Ų2954.7 Ų54.711%0.11428%0.28CS..Hα-helixtrans-66.8-46.7176.2-179.5-83.7000110.6V317 T327 V338 T340 E344 T345 A346 D347 R352 I353V317-Y349 HydrophobicContact CB-CD1 4.36Å; V317-Y349 HydrophobicContact CG1-CD1 3.64Å; V317-Y349 HydrophobicContact CG1-CE1 4.32Å; V317-Y349 HydrophobicContact CG1-CG 4.03Å; V317-Y349 HydrophobicContact CG2-CD1 3.73Å; V317-Y349 HydrophobicContact CG2-CE1 3.88Å; T327-Y349 HydrophobicContact CG2-CE2 4.14Å; V338-Y349 HydrophobicContact CB-CE1 4.47Å; V338-Y349 HydrophobicContact CG1-CE1 4.04Å; V338-Y349 HydrophobicContact CG1-CE2 3.91Å; T340-Y349 HydrophobicContact CG2-CD2 4.07Å; T340-Y349 HydrophobicContact CG2-CG 3.9Å; E344-Y349 WeakPolarHBondContact OE2-CD2 3.24Å; T345-Y349 PolarHBondContact O-N 2.87Å; A346-Y349 PolarHBondContact O-N 3.1Å; D347-Y349 PolarHBondContact O-N 3.28Å; Y349-R352 PolarHBondContact O-N 3.37Å; Y349-I353 HydrophobicContact CD1-CG1 3.98Å; Y349-I353 HydrophobicContact CE1-CD1 4.44Å; Y349-I353 HydrophobicContact CE1-CG1 3.53Å; Y349-I353 HydrophobicContact CE2-CG1 4.39Å; Y349-I353 WeakPolarHBondContact O-CB 3.29Å; Y349-I353 WeakPolarHBondContact O-CG1 3.34Å; Y349-I353 PolarHBondContact O-N 2.9Å
350I72.7Confident68.6Low4 Ų460.9 Ų60.92%0.02130%0.303CS..Hα-helixtrans-62.6-47.3177.9-70.5171.4000109I270 D272 V317 A346 D347 R352 I353 A354 F373I270-I350 HydrophobicContact CG2-CD1 4.36Å; I270-I350 HydrophobicContact CG2-CG1 3.81Å; I270-I350 HydrophobicContact CG2-CG2 4.24Å; D272-I350 HydrophobicContact CB-CD1 3.72Å; V317-I350 HydrophobicContact CB-CD1 4.24Å; V317-I350 HydrophobicContact CB-CG1 4.15Å; V317-I350 HydrophobicContact CG1-CG1 4.49Å; V317-I350 HydrophobicContact CG2-CD1 4.35Å; V317-I350 HydrophobicContact CG2-CG1 3.89Å; A346-I350 WeakPolarHBondContact O-CB 3.39Å; A346-I350 WeakPolarHBondContact O-CD1 3.19Å; A346-I350 WeakPolarHBondContact O-CG1 3.31Å; A346-I350 PolarHBondContact O-N 3.27Å; D347-I350 PolarHBondContact O-N 2.91Å; I350-R352 VanDerWaalsContact C-N 3.32Å; I350-R352 PolarHBondContact O-N 3.16Å; I350-I353 PolarHBondContact O-N 2.7Å; I350-A354 WeakPolarHBondContact O-CA 3.47Å; I350-A354 WeakPolarHBondContact O-CB 3.49Å; I350-A354 PolarHBondContact O-N 3.07Å; I350-F373 HydrophobicContact CG2-CD1 3.25Å; I350-F373 HydrophobicContact CG2-CE1 3.28Å; I350-F373 HydrophobicContact CG2-CG 4.41Å; I350-F373 HydrophobicContact CG2-CZ 4.43Å
351E68.8Low66.1Low117 Ų11762.6 Ų62.655%0.54731%0.312SS..Hα-helixtrans-62.9-36.9177.1-77170.7-162.700112.6D347 G355 K375D347-E351 WeakPolarHBondContact O-CB 3.44Å; D347-E351 VanDerWaalsContact O-CG 3.29Å; D347-E351 WeakPolarHBondContact O-CG 3.37Å; D347-E351 PolarHBondContact O-N 3.47Å; E351-G355 WeakPolarHBondContact O-CA 3.39Å; E351-G355 PolarHBondContact O-N 2.98Å; E351-K375 IonicContact OE1-NZ 2.72Å; E351-K375 PolarHBondContact OE1-NZ 3.47Å
352R76.9Confident63.8Low90 Ų9059.6 Ų59.634%0.3430%0.302SS..Hα-helixtrans-68.2-49.4175.6-175.7-17758.466.16.9111.6E344 S348 Y349 I350 A354 G355 E356E344-R352 IonicContact OE1-CZ 3.93Å; E344-R352 IonicContact OE1-NE 3.95Å; E344-R352 PolarHBondContact OE1-NE 3.37Å; E344-R352 IonicContact OE1-NH2 2.58Å; S348-R352 WeakPolarHBondContact O-CB 3.34Å; S348-R352 PolarHBondContact O-N 3.25Å; Y349-R352 PolarHBondContact O-N 3.37Å; I350-R352 VanDerWaalsContact C-N 3.32Å; I350-R352 PolarHBondContact O-N 3.16Å; R352-A354 VanDerWaalsContact C-N 3.34Å; R352-G355 CarbonylContact O-C 3.57Å; R352-G355 PolarHBondContact O-N 2.78Å; R352-E356 VanDerWaalsContact CG-OE1 3.3Å; R352-E356 WeakPolarHBondContact CG-OE1 3.47Å; R352-E356 IonicContact CZ-OE1 3.19Å; R352-E356 IonicContact NH1-OE1 3.71Å; R352-E356 PolarHBondContact NH1-OE1 3.35Å; R352-E356 IonicContact NH1-OE2 3.94Å; R352-E356 PolarHBondContact NH1-OE2 2.7Å; R352-E356 WeakPolarHBondContact O-CB 3.13Å; R352-E356 VanDerWaalsContact O-CG 3.26Å; R352-E356 WeakPolarHBondContact O-CG 3.44Å; R352-E356 PolarHBondContact O-N 2.93Å
353I67.1Low61.7Low26 Ų2659 Ų5913%0.13330%0.3CS..Hα-helixtrans-66.3-40.2177.4-67.1-63.8000110.5I270 Y349 I350 G355 E356 L357I270-I353 HydrophobicContact CD1-CG2 3.72Å; Y349-I353 HydrophobicContact CD1-CG1 3.98Å; Y349-I353 HydrophobicContact CE1-CD1 4.44Å; Y349-I353 HydrophobicContact CE1-CG1 3.53Å; Y349-I353 HydrophobicContact CE2-CG1 4.39Å; Y349-I353 WeakPolarHBondContact O-CB 3.29Å; Y349-I353 WeakPolarHBondContact O-CG1 3.34Å; Y349-I353 PolarHBondContact O-N 2.9Å; I350-I353 PolarHBondContact O-N 2.7Å; I353-G355 VanDerWaalsContact C-N 3.33Å; I353-G355 PolarHBondContact O-N 3.45Å; I353-E356 PolarHBondContact O-N 3.13Å; I353-L357 HydrophobicContact CG2-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CG 4.13Å; I353-L357 WeakPolarHBondContact O-CB 3.35Å; I353-L357 WeakPolarHBondContact O-CG 3.13Å; I353-L357 PolarHBondContact O-N 2.93Å
354A60.4Low59.4Low12 Ų1252.2 Ų52.210%0.09926%0.263CS..Hα-helixtrans-59.5-44.1172.300000111.8I350 R352 N358 I371 F373I350-A354 WeakPolarHBondContact O-CA 3.47Å; I350-A354 WeakPolarHBondContact O-CB 3.49Å; I350-A354 PolarHBondContact O-N 3.07Å; R352-A354 VanDerWaalsContact C-N 3.34Å; A354-N358 WeakPolarHBondContact O-CA 3.5Å; A354-N358 WeakPolarHBondContact O-CB 3.47Å; A354-N358 PolarHBondContact O-N 2.93Å; A354-I371 HydrophobicContact CB-CD1 4.25Å; A354-I371 WeakPolarHBondContact O-CD1 3.4Å; A354-F373 HydrophobicContact CB-CE1 3.69Å; A354-F373 HydrophobicContact CB-CE2 4.06Å; A354-F373 HydrophobicContact CB-CZ 3.14Å
355G56.6Low56.9Low25 Ų2553 Ų5326%0.25827%0.271SS..Hα-helixtrans-67-45.9177.100000110.8E351 R352 I353 L357 N358 D359E351-G355 WeakPolarHBondContact O-CA 3.39Å; E351-G355 PolarHBondContact O-N 2.98Å; R352-G355 CarbonylContact O-C 3.57Å; R352-G355 PolarHBondContact O-N 2.78Å; I353-G355 VanDerWaalsContact C-N 3.33Å; I353-G355 PolarHBondContact O-N 3.45Å; G355-L357 PolarHBondContact O-N 2.97Å; G355-N358 PolarHBondContact O-N 3.45Å; G355-D359 WeakPolarHBondContact O-CA 3.31Å; G355-D359 WeakPolarHBondContact O-CB 3.01Å; G355-D359 PolarHBondContact O-N 3Å
356E60Low54.2Low79 Ų7952.5 Ų52.537%0.36928%0.28SS..Hα-helixtrans-60.6-44.6174.9-73.8168.5-163.900111.2R352 I353 R360R352-E356 VanDerWaalsContact CG-OE1 3.3Å; R352-E356 WeakPolarHBondContact CG-OE1 3.47Å; R352-E356 IonicContact CZ-OE1 3.19Å; R352-E356 IonicContact NH1-OE1 3.71Å; R352-E356 PolarHBondContact NH1-OE1 3.35Å; R352-E356 IonicContact NH1-OE2 3.94Å; R352-E356 PolarHBondContact NH1-OE2 2.7Å; R352-E356 WeakPolarHBondContact O-CB 3.13Å; R352-E356 VanDerWaalsContact O-CG 3.26Å; R352-E356 WeakPolarHBondContact O-CG 3.44Å; R352-E356 PolarHBondContact O-N 2.93Å; I353-E356 PolarHBondContact O-N 3.13Å; E356-R360 WeakPolarHBondContact O-CB 3.42Å; E356-R360 VanDerWaalsContact O-CD 3.26Å; E356-R360 WeakPolarHBondContact O-CD 3.4Å; E356-R360 WeakPolarHBondContact O-CG 3.5Å; E356-R360 PolarHBondContact O-N 2.98Å
357L56.5Low51.9Low38 Ų3860.5 Ų60.520%0.19932%0.315CS..Hα-helixtrans-72.5-39.5177.9-71.2172.9000112.4L268 I270 I353 G355 R360 L361 I371L268-L357 HydrophobicContact CD2-CD1 3.63Å; I270-L357 HydrophobicContact CD1-CD1 3.98Å; I353-L357 HydrophobicContact CG2-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CG 4.13Å; I353-L357 WeakPolarHBondContact O-CB 3.35Å; I353-L357 WeakPolarHBondContact O-CG 3.13Å; I353-L357 PolarHBondContact O-N 2.93Å; G355-L357 PolarHBondContact O-N 2.97Å; L357-R360 WeakPolarHBondContact O-CB 3.02Å; L357-L361 WeakPolarHBondContact O-CB 3.5Å; L357-L361 VanDerWaalsContact O-CD1 3.3Å; L357-L361 WeakPolarHBondContact O-CD1 3.19Å; L357-L361 WeakPolarHBondContact O-CG 3.34Å; L357-L361 PolarHBondContact O-N 3.16Å; L357-I371 HydrophobicContact CB-CD1 3.58Å; L357-I371 HydrophobicContact CD1-CD1 4.27Å
358N48.4Very low49.9Very low34 Ų3465.1 Ų65.118%0.18234%0.335CS..Hα-helixtrans-81.6-31.8-178.7-173.963.1000111.8A354 G355 L361 T362 S369 I371A354-N358 WeakPolarHBondContact O-CA 3.5Å; A354-N358 WeakPolarHBondContact O-CB 3.47Å; A354-N358 PolarHBondContact O-N 2.93Å; G355-N358 PolarHBondContact O-N 3.45Å; N358-L361 CarbonylContact O-C 3.54Å; N358-L361 PolarHBondContact O-N 3.05Å; N358-T362 PolarHBondContact ND2-OG1 3.17Å; N358-T362 VanDerWaalsContact ND2-OG1 3.15Å; N358-T362 WeakPolarHBondContact O-CA 3.45Å; N358-T362 WeakPolarHBondContact O-CB 3.2Å; N358-T362 PolarHBondContact O-N 2.84Å; N358-T362 PolarHBondContact O-OG1 2.99Å; N358-T362 PolarHBondContact OD1-OG1 3.17Å; N358-S369 PolarHBondContact OD1-O 3.25Å; N358-I371 HydrophobicContact CB-CD1 4.09Å
359D42.1Very low47.9Very low87 Ų8765 Ų6547%0.46533%0.334SS..Hα-helixtrans-68.7-42.4169.9-75.1-18000108.7G355 Q363G355-D359 WeakPolarHBondContact O-CA 3.31Å; G355-D359 WeakPolarHBondContact O-CB 3.01Å; G355-D359 PolarHBondContact O-N 3Å; D359-Q363 WeakPolarHBondContact O-CA 3.31Å; D359-Q363 WeakPolarHBondContact O-CB 3.24Å; D359-Q363 WeakPolarHBondContact O-CG 3.47Å; D359-Q363 PolarHBondContact O-N 3.01Å
360R35.9Very low45.8Very low141 Ų14172.1 Ų72.153%0.53237%0.366SS..Hα-helixtrans-52.7-63.8164.2-75.3169.7-169.6-167.44.2108.6E356 L357 T362 Q363 L364E356-R360 WeakPolarHBondContact O-CB 3.42Å; E356-R360 VanDerWaalsContact O-CD 3.26Å; E356-R360 WeakPolarHBondContact O-CD 3.4Å; E356-R360 WeakPolarHBondContact O-CG 3.5Å; E356-R360 PolarHBondContact O-N 2.98Å; L357-R360 WeakPolarHBondContact O-CB 3.02Å; R360-T362 PolarHBondContact O-N 3.16Å; R360-Q363 CarbonylContact O-C 3.58Å; R360-Q363 PolarHBondContact O-N 3.37Å; R360-L364 VanDerWaalsContact C-CD1 3.49Å; R360-L364 HydrophobicContact CB-CD1 3.95Å; R360-L364 WeakPolarHBondContact O-CA 3.37Å; R360-L364 WeakPolarHBondContact O-CB 3.47Å; R360-L364 WeakPolarHBondContact O-CD1 3.43Å; R360-L364 WeakPolarHBondContact O-CG 3.42Å; R360-L364 PolarHBondContact O-N 2.88Å
361L33.3Very low44.4Very low39 Ų3973.2 Ų73.220%0.20437%0.371CS..Hα-helixtrans-63.2-28.2-174.7-69.7162.5000116.2A150 L357 N358 L364 S365 I371A150-L361 HydrophobicContact CB-CD2 3.73Å; A150-L361 HydrophobicContact CB-CG 4.42Å; L357-L361 WeakPolarHBondContact O-CB 3.5Å; L357-L361 VanDerWaalsContact O-CD1 3.3Å; L357-L361 WeakPolarHBondContact O-CD1 3.19Å; L357-L361 WeakPolarHBondContact O-CG 3.34Å; L357-L361 PolarHBondContact O-N 3.16Å; N358-L361 CarbonylContact O-C 3.54Å; N358-L361 PolarHBondContact O-N 3.05Å; L361-L364 CarbonylContact O-C 3.55Å; L361-L364 VanDerWaalsContact O-C 3.22Å; L361-L364 PolarHBondContact O-N 3.37Å; L361-S365 WeakPolarHBondContact O-CB 3.37Å; L361-S365 PolarHBondContact O-N 3.12Å; L361-S365 PolarHBondContact O-OG 3.02Å; L361-I371 HydrophobicContact CD1-CG1 4.47Å
362T33.5Very low43.2Very low39 Ų3971.3 Ų71.324%0.23936%0.364CS..Hα-helixtrans-87.4-44.5-178.7-61.30000109.9N358 R360 L364 S365 G366N358-T362 PolarHBondContact ND2-OG1 3.17Å; N358-T362 VanDerWaalsContact ND2-OG1 3.15Å; N358-T362 WeakPolarHBondContact O-CA 3.45Å; N358-T362 WeakPolarHBondContact O-CB 3.2Å; N358-T362 PolarHBondContact O-N 2.84Å; N358-T362 PolarHBondContact O-OG1 2.99Å; N358-T362 PolarHBondContact OD1-OG1 3.17Å; R360-T362 PolarHBondContact O-N 3.16Å; T362-L364 PolarHBondContact O-N 3.45Å; T362-S365 PolarHBondContact O-N 3.17Å; T362-G366 PolarHBondContact O-N 3.49Å
363Q29.6Very low41.7Very low129 Ų12970.8 Ų70.860%0.60337%0.365SS*.Hα-helixtrans-61.9-20.9164.9-60.617421.900110.4R146 T175 D359 R360R146-Q363 PolarHBondContact NE-O 2.73Å; R146-Q363 VanDerWaalsContact NH2-C 3.26Å; R146-Q363 PolarHBondContact NH2-O 2.78Å; T175-Q363 WeakPolarHBondContact CG2-O 3.23Å; D359-Q363 WeakPolarHBondContact O-CA 3.31Å; D359-Q363 WeakPolarHBondContact O-CB 3.24Å; D359-Q363 WeakPolarHBondContact O-CG 3.47Å; D359-Q363 PolarHBondContact O-N 3.01Å; R360-Q363 CarbonylContact O-C 3.58Å; R360-Q363 PolarHBondContact O-N 3.37Å
364L28.4Very low40.5Very low15 Ų1572.1 Ų72.18%0.07937%0.372CS..THydrogen-bonded Turntrans-103.83.8180-63165.8000115.8R146 A150 A177 R360 L361 T362R146-L364 HydrophobicContact CB-CD2 4.44Å; R146-L364 VanDerWaalsContact CD-C 3.41Å; R146-L364 WeakPolarHBondContact CD-O 3.14Å; R146-L364 HydrophobicContact CG-CB 3.72Å; R146-L364 HydrophobicContact CG-CD2 3.44Å; R146-L364 VanDerWaalsContact CG-CD2 3.44Å; R146-L364 HydrophobicContact CG-CG 4.18Å; R146-L364 WeakPolarHBondContact CG-O 3.43Å; R146-L364 VanDerWaalsContact CZ-O 3.22Å; R146-L364 PolarHBondContact NE-O 3.44Å; R146-L364 VanDerWaalsContact NH2-C 3.26Å; A150-L364 VanDerWaalsContact CA-CD1 3.45Å; A150-L364 HydrophobicContact CB-CB 4.17Å; A150-L364 HydrophobicContact CB-CD1 3.32Å; A150-L364 HydrophobicContact CB-CG 4.35Å; A177-L364 HydrophobicContact CB-CD2 4.26Å; R360-L364 VanDerWaalsContact C-CD1 3.49Å; R360-L364 HydrophobicContact CB-CD1 3.95Å; R360-L364 WeakPolarHBondContact O-CA 3.37Å; R360-L364 WeakPolarHBondContact O-CB 3.47Å; R360-L364 WeakPolarHBondContact O-CD1 3.43Å; R360-L364 WeakPolarHBondContact O-CG 3.42Å; R360-L364 PolarHBondContact O-N 2.88Å; L361-L364 CarbonylContact O-C 3.55Å; L361-L364 VanDerWaalsContact O-C 3.22Å; L361-L364 PolarHBondContact O-N 3.37Å; T362-L364 PolarHBondContact O-N 3.45Å
365S30.2Very low39.3Very low38 Ų3875.5 Ų75.527%0.26638%0.384SS..THydrogen-bonded Turntrans-141.1-1416964.90000115.9R146 L361 T362 F367R146-S365 PolarHBondContact NH1-O 3.47Å; L361-S365 WeakPolarHBondContact O-CB 3.37Å; L361-S365 PolarHBondContact O-N 3.12Å; L361-S365 PolarHBondContact O-OG 3.02Å; T362-S365 PolarHBondContact O-N 3.17Å; S365-F367 PolarHBondContact O-N 2.92Å; S365-F367 VanDerWaalsContact O-N 3.11Å; S365-F367 PolarHBondContact OG-N 3.34Å; S365-F367 PolarHBondContact OG-O 3.18Å
366G26.3Very low38.1Very low61 Ų6175.7 Ų75.763%0.62939%0.386SS*.SBendtrans63.66.2-168.900000112.4T362T362-G366 PolarHBondContact O-N 3.49Å
367F29.5Very low36.6Very low169 Ų16978.8 Ų78.874%0.74140%0.401SS*.SBendtrans-125.9155.7175.9-88.9-90.5000108.6S365 S369S365-F367 PolarHBondContact O-N 2.92Å; S365-F367 VanDerWaalsContact O-N 3.11Å; S365-F367 PolarHBondContact OG-N 3.34Å; S365-F367 PolarHBondContact OG-O 3.18Å; F367-S369 PolarHBondContact O-N 2.89Å
368Q33.6Very low35.1Very low152 Ų15280.3 Ų80.371%0.7141%0.408SS*.  trans-80.6107.2174.9-67.9-100-56.200108.1
369S37.3Very low34.1Very low40 Ų4082.8 Ų82.828%0.2842%0.416SS..  trans-73.2132.2168.2-64.70000109.2N358 F367 I371N358-S369 PolarHBondContact OD1-O 3.25Å; F367-S369 PolarHBondContact O-N 2.89Å; S369-I371 PolarHBondContact O-N 3.45Å
370K35.5Very low33.3Very low180 Ų18082 Ų8278%0.78341%0.41SS*.  trans-84.6105.9178.6-78.3-174.8175.4-1730110.1
371I43.5Very low32.7Very low27 Ų2784.3 Ų84.314%0.13842%0.42CS..  trans-77.6127.3156.9-56.2171.5000106.8I270 A354 L357 N358 L361 S369 F373I270-I371 HydrophobicContact CD1-CG2 4.33Å; A354-I371 HydrophobicContact CB-CD1 4.25Å; A354-I371 WeakPolarHBondContact O-CD1 3.4Å; L357-I371 HydrophobicContact CB-CD1 3.58Å; L357-I371 HydrophobicContact CD1-CD1 4.27Å; N358-I371 HydrophobicContact CB-CD1 4.09Å; L361-I371 HydrophobicContact CD1-CG1 4.47Å; S369-I371 PolarHBondContact O-N 3.45Å; I371-F373 HydrophobicContact CB-CE1 4.44Å; I371-F373 HydrophobicContact CB-CE2 3.68Å; I371-F373 HydrophobicContact CB-CZ 3.54Å; I371-F373 HydrophobicContact CD1-CZ 4.29Å; I371-F373 HydrophobicContact CG2-CD1 4.42Å; I371-F373 HydrophobicContact CG2-CE1 3.62Å; I371-F373 HydrophobicContact CG2-CE2 3.75Å; I371-F373 HydrophobicContact CG2-CZ 3.18Å; I371-F373 WeakPolarHBondContact O-CD2 3.42Å; I371-F373 WeakPolarHBondContact O-CE2 3.48Å
372L43.4Very low32.3Very low76 Ų7689.7 Ų89.740%0.39844%0.442SS..EExtended strand (participates in β ladder)trans-86.7114.6-179.6-167.668.7000109.6L269 M380L269-L372 HydrophobicContact CD1-CB 4.24Å; L269-L372 HydrophobicContact CD1-CD2 4.18Å; L269-L372 HydrophobicContact CD1-CG 4.38Å; L372-M380 HydrophobicContact CD2-CG 4.46Å; L372-M380 HydrophobicContact CD2-SD 3.96Å
373F44.4Very low31.9Very low80 Ų8094.6 Ų94.635%0.35147%0.466SS..EExtended strand (participates in β ladder)trans-103.8126174.3-59.1-72.8000110.5I270 I350 A354 I371I270-F373 HydrophobicContact CB-CE1 4.4Å; I350-F373 HydrophobicContact CG2-CD1 3.25Å; I350-F373 HydrophobicContact CG2-CE1 3.28Å; I350-F373 HydrophobicContact CG2-CG 4.41Å; I350-F373 HydrophobicContact CG2-CZ 4.43Å; A354-F373 HydrophobicContact CB-CE1 3.69Å; A354-F373 HydrophobicContact CB-CE2 4.06Å; A354-F373 HydrophobicContact CB-CZ 3.14Å; I371-F373 HydrophobicContact CB-CE1 4.44Å; I371-F373 HydrophobicContact CB-CE2 3.68Å; I371-F373 HydrophobicContact CB-CZ 3.54Å; I371-F373 HydrophobicContact CD1-CZ 4.29Å; I371-F373 HydrophobicContact CG2-CD1 4.42Å; I371-F373 HydrophobicContact CG2-CE1 3.62Å; I371-F373 HydrophobicContact CG2-CE2 3.75Å; I371-F373 HydrophobicContact CG2-CZ 3.18Å; I371-F373 WeakPolarHBondContact O-CD2 3.42Å; I371-F373 WeakPolarHBondContact O-CE2 3.48Å
374L41.4Very low31.6Very low53 Ų5390.9 Ų90.928%0.27746%0.462SS..EExtended strand (participates in β ladder)trans-99.480.3167.1-77.8158.6000108.7L269 M276L269-L374 HydrophobicContact CD1-CD1 4.28Å; M276-L374 HydrophobicContact CE-CB 4.36Å; M276-L374 HydrophobicContact SD-CB 4.33Å
375K36.4Very low31.5Very low83 Ų8397.9 Ų97.936%0.36150%0.498SS..  trans-78.7137.9163.1-69.8-162.9-175.1-165.70108.4D347 E351 Q377D347-K375 VanDerWaalsContact CG-NZ 3.32Å; D347-K375 WeakPolarHBondContact OD1-CD 3.26Å; D347-K375 WeakPolarHBondContact OD1-CE 3.49Å; D347-K375 IonicContact OD1-NZ 2.64Å; D347-K375 PolarHBondContact OD1-NZ 2.87Å; D347-K375 IonicContact OD2-NZ 3.47Å; E351-K375 IonicContact OE1-NZ 2.72Å; E351-K375 PolarHBondContact OE1-NZ 3.47Å; K375-Q377 PolarHBondContact O-N 3.34Å
376G30.9Very low31.2Very low29 Ų29102.3 Ų102.330%0.29952%0.519SS..SBendtrans-46.6127-175.700000112.8
377Q27.7Very low31.1Very low145 Ų145107.3 Ų107.368%0.67853%0.529SS*.SBendtrans79.5116.7-169.9-51.4-170.4-17.800114.5K375K375-Q377 PolarHBondContact O-N 3.34Å
378I26.6Very low30.8Very low69 Ų69102.5 Ų102.535%0.35453%0.527SS..  trans107.792.5145.9-60.7139.7000118.6R390I378-R390 HydrophobicContact CB-CG 4.41Å; I378-R390 HydrophobicContact CD1-CB 4.16Å; I378-R390 HydrophobicContact CD1-CG 3.57Å; I378-R390 HydrophobicContact CG1-CB 3.94Å; I378-R390 HydrophobicContact CG1-CG 3.88Å; I378-R390 HydrophobicContact CG2-CB 3.82Å; I378-R390 HydrophobicContact CG2-CG 3.74Å
379Y26.7Very low30.5Very low87 Ų87105.4 Ų105.434%0.34154%0.537SS..  64.1100.5128.6-49.4-60.7000120.5Y381 R390 T391 H392 V393Y379-Y381 PolarHBondContact O-N 3.27Å; Y379-R390 HydrophobicContact CD2-CB 4.23Å; Y379-R390 HydrophobicContact CE2-CB 4.35Å; Y379-T391 HydrophobicContact CD2-CG2 4.19Å; Y379-T391 HydrophobicContact CE2-CG2 3.32Å; Y379-T391 VanDerWaalsContact CG-CA 3.45Å; Y379-T391 VanDerWaalsContact CG-N 3.3Å; Y379-T391 VanDerWaalsContact OH-CG2 3.23Å; Y379-T391 WeakPolarHBondContact OH-CG2 3.49Å; Y379-H392 VanDerWaalsContact CG-N 3.3Å; Y379-V393 HydrophobicContact CD1-CB 4.1Å; Y379-V393 HydrophobicContact CD1-CG2 3.99Å; Y379-V393 VanDerWaalsContact CD1-N 3.34Å; Y379-V393 HydrophobicContact CE1-CB 4.42Å
380M24.7Very low30Very low69 Ų69111.7 Ų111.734%0.3456%0.555SS.*  trans-84.2104.6169.7-141-17667.200109.2Y306 L372 F382 V393Y306-M380 WeakPolarHBondContact OH-CE 3.37Å; Y306-M380 PolarHBondContact OH-SD 3.34Å; L372-M380 HydrophobicContact CD2-CG 4.46Å; L372-M380 HydrophobicContact CD2-SD 3.96Å; M380-F382 HydrophobicContact CE-CE2 4.43Å; M380-V393 HydrophobicContact CB-CG2 4.31Å
381Y24.8Very low29.6Very low191 Ų191107.2 Ų107.275%0.74954%0.543SS*.  trans-120.6130.4161.4-94.2-90.3000109.1Y379Y379-Y381 PolarHBondContact O-N 3.27Å
382F23.4Very low28.9Very low152 Ų152111.3 Ų111.367%0.66756%0.561SS**  trans-63.2153.6-174.3-104.5-106.4000113.6M380M380-F382 HydrophobicContact CE-CE2 4.43Å
383L25Very low28.3Very low142 Ų142110.9 Ų110.974%0.74356%0.562SS**SBendtrans64.2115.8154.3-74.3154.7000118
384G24.1Very low27.7Very low50 Ų50111 Ų11152%0.51558%0.577SS.*SBendtrans64.5121.1148.100000116.3
385I25.4Very low27.3Very low162 Ų162111.5 Ų111.583%0.83159%0.585SS**  trans82.2111156.9-50.5168.6000114.8
386D25.2Very low27.2Very low132 Ų132113.2 Ų113.271%0.70660%0.597SS**  trans63.6106.4141.1-138.1-5000121.3
387I23.3Very low27.5Very low166 Ų166118.2 Ų118.285%0.85161%0.614SS**  trans14.4110.2142.1-39165.6000117.2
388G24Very low28Very low67 Ų67117 Ų11769%0.69161%0.612SS**  trans149.9112.8150.600000118.4
389K27.5Very low28.6Very low214 Ų214121.7 Ų121.793%0.9363%0.633SS**  trans80.7151.4154.6-60.6-175.2179.5178.30119.4
390R25.7Very low29.3Very low171 Ų171126 Ų12665%0.64566%0.656SS**  trans-94.6143.4-157.8-52.8176162.6-168.2-10.3112I378 Y379I378-R390 HydrophobicContact CB-CG 4.41Å; I378-R390 HydrophobicContact CD1-CB 4.16Å; I378-R390 HydrophobicContact CD1-CG 3.57Å; I378-R390 HydrophobicContact CG1-CB 3.94Å; I378-R390 HydrophobicContact CG1-CG 3.88Å; I378-R390 HydrophobicContact CG2-CB 3.82Å; I378-R390 HydrophobicContact CG2-CG 3.74Å; Y379-R390 HydrophobicContact CD2-CB 4.23Å; Y379-R390 HydrophobicContact CE2-CB 4.35Å
391T28.5Very low29.8Very low86 Ų86126 Ų12653%0.52867%0.674SS.*  trans121.794.8152.468.40000120.4Y379Y379-T391 HydrophobicContact CD2-CG2 4.19Å; Y379-T391 HydrophobicContact CE2-CG2 3.32Å; Y379-T391 VanDerWaalsContact CG-CA 3.45Å; Y379-T391 VanDerWaalsContact CG-N 3.3Å; Y379-T391 VanDerWaalsContact OH-CG2 3.23Å; Y379-T391 WeakPolarHBondContact OH-CG2 3.49Å
392H28.4Very low30.2Very low113 Ų113129.9 Ų129.952%0.52369%0.694SS.*  -174.9126.199.6-91.945000115.4Y379Y379-H392 VanDerWaalsContact CG-N 3.3Å
393V30.9Very low30.5Very low68 Ų68128.8 Ų128.841%0.41270%0.696SS.*SBendtrans-149.2-31.6174.1167.90000111.8Y379 M380 S395 I396Y379-V393 HydrophobicContact CD1-CB 4.1Å; Y379-V393 HydrophobicContact CD1-CG2 3.99Å; Y379-V393 VanDerWaalsContact CD1-N 3.34Å; Y379-V393 HydrophobicContact CE1-CB 4.42Å; M380-V393 HydrophobicContact CB-CG2 4.31Å; V393-S395 PolarHBondContact O-N 2.74Å; V393-S395 VanDerWaalsContact O-N 3.08Å; V393-I396 PolarHBondContact O-N 3.28Å
394A31.6Very low30.8Very low81 Ų81128.1 Ų128.167%0.66969%0.693SS**THydrogen-bonded Turntrans-66-11.2-176.700000116
395S32.7Very low31.2Very low64 Ų64132.4 Ų132.445%0.44870%0.703SS.*THydrogen-bonded Turntrans-83.4-25.1-179.158.40000114V393V393-S395 PolarHBondContact O-N 2.74Å; V393-S395 VanDerWaalsContact O-N 3.08Å
396I33.6Very low31.5Very low119 Ų119130.6 Ų130.661%0.6170%0.695SS**THydrogen-bonded Turntrans-80.4-27.2-168.7-63.6172.1000112.2V393V393-I396 PolarHBondContact O-N 3.28Å
397M37.2Very low31.9Very low134 Ų134130.6 Ų130.666%0.6670%0.695SS**SBendtrans-92.4-10.4-177.7-68-164.1172.100115.1Y306Y306-M397 HydrophobicContact CD2-CE 3.89Å; Y306-M397 HydrophobicContact CE2-CE 4.27Å
398N39.2Very low32.5Very low121 Ų121128.2 Ų128.265%0.64768%0.684SS**SBendtrans-92.6-10178.3-81.3-5.9000113.6
399E37.8Very low33.1Very low166 Ų166132.6 Ų132.678%0.77668%0.684SS**SBendtrans-91.5-12.5178.9-71.6-169.3158.100113.9
400E41.4Very low33.5Very low178 Ų178126.3 Ų126.383%0.83267%0.665SS**SBendtrans-97.212.4-179.9-63.3-169.6159.100114.1
401G35.7Very low34.2Very low69 Ų69122.6 Ų122.671%0.71167%0.667SS**  trans-11020.1-179.400000115.9
402K33.2Very low34.7Very low272 Ų272125.9 Ų125.9100%1.18368%0.679SS**  trans-117.40173-83.9-169.8178.9178.40112.7

Retrieved 402 of 402 residues in 223 ms (Link to these results)